SCHEMBL7415629

SCHEMBL7415629

O=C(Nc1ccccc1)C1=C(O)CCc2c1nc1cc(Cl)ccn21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP14 P50281 2/20 0.38
ADAMTS5 Q9UNA0 2/20 0.38
MMP1 P03956 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 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
SCHEMBL7414923 0.91 JAK2 (0.44)
SCHEMBL7420722 0.87 MAPT (0.41) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL7418401 0.86 TP53 (0.39)
SCHEMBL7418952 0.85 RAB9A (0.44) NPC1RAB9A
SCHEMBL7418016 0.85 KMT2A (0.51) MAPTNPC1RAB9AALDH1A1
SCHEMBL7415683 0.85 RAB9A (0.42) CNR1NPC1RAB9A
SCHEMBL7949899 0.85 LMNA (0.42) MAPTNPC1RAB9A
SCHEMBL7415551 0.85 MAPT (0.36) MAPT
SCHEMBL7411535 0.84 SMN1; SMN2 (0.55) MAPTNPC1RAB9AALDH1A1
SCHEMBL7418114 0.82 SMN1; SMN2 (0.33) MAPT

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