SCHEMBL7415683

SCHEMBL7415683

COc1ccn2c3c(nc2c1)C(C(=O)Nc1ccccc1)=C(O)CC3

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41
NLRP3 Q96P20 1/20 0.40
NR1I2 O75469 1/20 0.39
TACR3 P29371 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 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
SCHEMBL7964418 0.93 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPK1MEN1
SCHEMBL7420636 0.86 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1MAPK1MEN1
SCHEMBL7960446 0.85 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPK1MEN1
SCHEMBL7415629 0.85 TMPRSS4 (0.40) RAB9ANPC1CNR1
SCHEMBL7418952 0.83 RAB9A (0.44) RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7949899 0.82 LMNA (0.42) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL7959855 0.77 LMNA (0.44) RAB9ASMN1; SMN2NPC1MAPK1KMT2A
SCHEMBL7960459 0.76 GAA (0.43) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7949787 0.76 HTT (0.36) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7416321 0.75 MAPT (0.47) RAB9ASMN1; SMN2NPC1MAPK1KMT2A

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
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US disclosed
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO disclosed