SCHEMBL7418952

SCHEMBL7418952

O=C(Nc1ccccc1)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
NTRK1 P04629 1/20 0.44
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7959855 0.93 LMNA (0.44) RAB9ANPC1NTRK1LMNAGLA
SCHEMBL7958240 0.92 IKBKE (0.41) RAB9ANPC1NTRK1LMNAGLA
SCHEMBL7961855 0.91 SMN1; SMN2 (0.55) RAB9ANPC1NTRK1LMNAGLA
SCHEMBL7411535 0.91 SMN1; SMN2 (0.55) RAB9ANPC1LMNAGLAGAA
SCHEMBL7416321 0.91 MAPT (0.47) RAB9ANPC1NTRK1LMNAGLA
SCHEMBL7412773 0.89 LMNA (0.41) RAB9ANPC1NTRK1LMNAGLA
SCHEMBL7949796 0.89 RAB9A (0.44) RAB9ANPC1LMNAGAASMN1; SMN2
SCHEMBL7960446 0.88 RAB9A (0.57) RAB9ANPC1LMNAGLAGAA
SCHEMBL7964564 0.88 USP2 (0.51) RAB9ANPC1LMNAGLAGAA
SCHEMBL7418016 0.88 KMT2A (0.51) RAB9ANPC1LMNAGAASMN1; SMN2

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 7 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
EP-0656002-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) 1995-06-07 EP 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
EP-0656002-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) 1995-06-07 EP 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