SCHEMBL9788666

SCHEMBL9788666

Cc1ccc2nc(-c3ccc(N4CCCCC4)cc3)c(CN(C)C(=O)CC(C)C)n2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 6/20 0.53
GABRA1 P14867 5/20 0.53
GABRA2 P47869 2/20 0.53
ALB P02768 2/20 0.53
OPRK1 P41145 2/20 0.53
KCNH2 Q12809 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
CHRM1 P11229 1/20 0.53
HPGD P15428 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA3 P34903 1/20 0.53
ADRA1A P35348 1/20 0.53
HTR2B P41595 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL10385117 0.88 GABRA1 (0.66) GABRB2GABRA1GABRA2ALBOPRK1
SCHEMBL9788699 0.84 GABRA1 (0.58) GABRB2GABRA1GABRA2ALBOPRK1
Hydrochloric Acid SCHEMBL10384385 0.84 GABRB2 (0.57) GABRB2GABRA1GABRA2ALBOPRK1
Necopidem SCHEMBL1061121 0.84 GABRA1 (0.57) GABRB2GABRA1GABRA2ALBOPRK1
SCHEMBL10467508 0.82 GABRA1 (0.55) GABRB2GABRA1GABRA2ALBOPRK1
SCHEMBL9788663 0.82 GABRA1 (0.55) GABRB2GABRA1GABRA2ALBOPRK1
SCHEMBL10761650 0.82 GABRA1 (0.54) GABRB2GABRA1GABRA2ALBOPRK1
SCHEMBL9788668 0.81 GABRA1 (0.54) GABRB2GABRA1GABRA2ALBOPRK1
SCHEMBL9788667 0.81 GABRA1 (0.55) GABRB2GABRA1GABRA2ALBOPRK1
SCHEMBL10467219 0.81 GABRA1 (0.55) GABRB2GABRA1GABRA2ALBOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990506-A Sedatives, anxiolytic, antiulcer, antistress SYNTHELABO (FR) 1991-02-05 US disclosed
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