SCHEMBL7140223

SCHEMBL7140223

C=CCSc1nccc(N2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
HRH4 Q9H3N8 6/20 0.46
CYP1A2 P05177 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HTR6 P50406 2/20 0.41
PLD1 Q13393 1/20 0.41
GAA P10253 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HTR3A P46098 3/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
ADRB1 P08588 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3294901 0.76 HRH3 (0.55) HRH3HRH4CYP1A2HSD17B10HTR6
Piperazine SCHEMBL27508163 0.73 L3MBTL1 (0.49) HSD17B10GAAALDH1A1LMNAMAPT
SCHEMBL2563731 0.72 HTR3A (0.40) ALDH1A1HTR3A
SCHEMBL6680308 0.68 GAA (0.49) CYP1A2HSD17B10GAAALDH1A1LMNA
SCHEMBL5738824 0.68 GAA (0.56) CYP1A2HSD17B10GAAALDH1A1LMNA
SCHEMBL23458788 0.68 HRH3 (0.65) HRH3HRH4CYP1A2HSD17B10HTR6
SCHEMBL6976678 0.68 HRH3 (0.65) HRH3HRH4CYP1A2HSD17B10HTR6
SCHEMBL4311403 0.68 GAA (0.49) CYP1A2HSD17B10GAAALDH1A1LMNA
SCHEMBL8194267 0.68 GAA (0.49) CYP1A2HSD17B10GAAALDH1A1LMNA
SCHEMBL2167882 0.68 HRH3 (1.00) HRH3HRH4CYP1A2HSD17B10HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1173956-C Novel piperazinylalkyl thiopyrimidine derivatives, pharmaceutical compositions containing the same, and a process for the preparation of same ����˹ҩ�﹤�� 2004-11-03 CN claimed
EP-1194415-B1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-08-20 EP claimed
CN-1359375-A Novel piperazinylalkyl thiopyrimidine derivatives, pharmaceutical compositions containing the same, and a process for the preparation of same EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2002-07-17 CN claimed
EP-1194415-A2 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION Egis Gyogyszergyar Rt. (HU) 2002-04-10 EP claimed
EP-0901473-B1 PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2002-03-13 EP claimed
WO-2001000617-A2 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE SAME EGIS Gyógyszergyár Rt. (HU) 2001-01-04 WO claimed
US-6130215-A CENTRAL NERVOUS SYSTEM EGIS GYOYSZERGYAR RT (HU) 2000-10-10 US claimed
EP-0901473-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS GYOGYSZERGYAR RT. (HU) 1999-03-17 EP claimed
WO-1997016429-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 1997-05-09 WO claimed
CN-1173956-C Novel piperazinylalkyl thiopyrimidine derivatives, pharmaceutical compositions containing the same, and a process for the preparation of same ����˹ҩ�﹤�� 2004-11-03 CN disclosed
CN-1173956-C Novel piperazinylalkyl thiopyrimidine derivatives, pharmaceutical compositions containing the same, and a process for the preparation of same ����˹ҩ�﹤�� 2004-11-03 CN disclosed
EP-1194415-B1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-08-20 EP disclosed
EP-1194415-B1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-08-20 EP disclosed
US-6469168-B1 FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, ESPECIALLY ANXIETY EGIS Gyógyszergyár Rt. (HU) 2002-10-22 US disclosed
US-6130215-A CENTRAL NERVOUS SYSTEM EGIS GYOYSZERGYAR RT (HU) 2000-10-10 US disclosed
EP-0901473-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS GYOGYSZERGYAR RT. (HU) 1999-03-17 EP disclosed
EP-0901473-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS GYOGYSZERGYAR RT. (HU) 1999-03-17 EP disclosed
CN-1207733-A Novel piperazinylalkylthiophrimidine derivs., pharmaceutical compositions contg. same and process for preparation of such compounds EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1999-02-10 CN disclosed
WO-1997016429-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 1997-05-09 WO disclosed
WO-1997016429-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 1997-05-09 WO disclosed