SCHEMBL10468528

SCHEMBL10468528

Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(CNC(=O)CC(C)C)n2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
GABRA1 P14867 3/20 0.47
GABRB2 P47870 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
ALB P02768 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
HPGD P15428 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
GABRA2 P47869 1/20 0.47
KCNH2 Q12809 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSPO P30536 1/20 0.46

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
SCHEMBL10467410 0.94 TSPO (0.50) ALOX5GABRA1GABRB2KDM4ELMNA
SCHEMBL4259245 0.84 GABRA1 (0.51) ALOX5GABRA1GABRB2KDM4ELMNA
SCHEMBL9788618 0.83 GABRA1 (0.47) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL10468530 0.83 GABRA1 (0.47) ALOX5GABRA1GABRB2KDM4ELMNA
SCHEMBL9788668 0.83 GABRA1 (0.54) ALOX5GABRA1GABRB2KDM4ELMNA
SCHEMBL10465838 0.82 GABRA1 (0.50) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL9788648 0.82 RAB9A (0.55) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL10466564 0.80 GABRA1 (0.51) ALOX5GABRA1GABRB2KDM4ELMNA
SCHEMBL1691790 0.80 ALOX5 (0.56) ALOX5GABRA1GABRB2KDM4ELMNA
SCHEMBL9788650 0.80 GABRA1 (0.45) ALOX5GABRA1GABRB2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4891371-A HYPNOTIC, ANXIOLYTIC, ANTI-STRESS ULCER SYNTHELABO (FR) 1990-01-02 US disclosed
US-4767755-A NERVOUS SYSTEM DISORDERS SYNTHELABO (FR) 1988-08-30 US disclosed