SCHEMBL8410233

SCHEMBL8410233

CNCCc1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.60
ATM Q13315 2/20 0.60
SIGMAR1 Q99720 2/20 0.56
TMEM97 Q5BJF2 1/20 0.56
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL16892550 0.86 MEN1 (0.61) TAAR1ATMSIGMAR1TMEM97L3MBTL1
SCHEMBL5917175 0.85 L3MBTL1 (0.64) TAAR1ATMSIGMAR1TMEM97L3MBTL1
SCHEMBL10156581 0.82 TAAR1 (0.76) TAAR1ATMSIGMAR1TMEM97MAPT
SCHEMBL17919923 0.78 TAAR1 (0.64) TAAR1ATMSIGMAR1TMEM97MAPT
SCHEMBL28291658 0.77 SIGMAR1 (0.41) TAAR1ATMSIGMAR1MAPTLMNA
SCHEMBL1243518 0.77
SCHEMBL6576818 0.76 GFER (0.40) TAAR1ALOX15HSD17B10ALDH1A1HPGD
SCHEMBL1878 0.75 TAAR1 (1.00) TAAR1ATMSIGMAR1TMEM97MAPT
SCHEMBL19355275 0.75 TAAR1 (1.00) TAAR1ATMSIGMAR1TMEM97MAPT
SCHEMBL27825237 0.74 TAAR1 (0.57) TAAR1ATMSIGMAR1TMEM97MAPT

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
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 CN disclosed
CN-1512992-A Novel adenine derivatives ס����ҩ��ʽ���� 2004-07-14 CN disclosed
US-5955465-A USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP, AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND ENHANCEMENT OF MEMORY NEUROGEN CORPORATION (US) 1999-09-21 US disclosed
EP-0221344-B1 SULPHONYL-PHENYL ALKYL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1990-05-23 EP disclosed
EP-0221344-A1 Sulphonyl-phenyl alkyl amines, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1987-05-13 EP disclosed