SCHEMBL8136251

SCHEMBL8136251

CC(CN1CCNC[C@H]1c1cccc2[nH]ccc12)N(C(=O)C1CCCCC1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
ADRA1A P35348 6/20 0.35
DRD4 P21917 5/20 0.35
ADRA1B P35368 5/20 0.35
HTR7 P34969 3/20 0.35
HTR2B P41595 3/20 0.35
HTR2A P28223 2/20 0.35
ADRA1D P25100 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HTR1B P28222 1/20 0.34
OPRM1 P35372 2/20 0.34
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL8783440 1.00 HTR1A (0.48) HTR1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4424772 0.85 HTR1A (0.39) HTR1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4563151 0.85 HTR1A (0.39) HTR1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8129133 0.82 OPRM1 (0.46) HTR1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8543106 0.73 OPRM1 (0.62) HTR1ASMN1; SMN2LMNAADRA1ADRD4
SCHEMBL8136258 0.73 HTR1A (0.70) HTR1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7040218 0.69 HTR1A (0.61) HTR1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6429257 0.69 HTR1A (0.47) HTR1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL13533329 0.68 OPRM1 (0.55) HTR1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL13533328 0.68 OPRM1 (0.55) HTR1AMEN1KMT2ASMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763031-B1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 2000-05-10 EP claimed
EP-0763031-B1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 2000-05-10 EP disclosed
US-5723464-A CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY OR DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 US disclosed
EP-0763031-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033743-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO disclosed