SCHEMBL10632002

SCHEMBL10632002

COc1ccc2c(c1)C(=O)N(C)Cc1c(-c3nc(C)no3)ncn1-2

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA6 Q16445 1/20 0.55

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
SCHEMBL10627732 0.88 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10630010 0.86 GABRP (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10625515 0.84
SCHEMBL8802212 0.80 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3
SCHEMBL26083668 0.79 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3
SCHEMBL10627744 0.79 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16840702 0.78 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3
SCHEMBL15250816 0.78 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3
SCHEMBL26083731 0.77 GABRG2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10632027 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772696-A CYCLIZATION USING ISONITRILE A/S FERROSAN (DK) 1988-09-20 US disclosed
US-4727153-A NERVOUS SYSTEM DISORDERS A/S FERROSAN (DK) 1988-02-23 US disclosed
US-4670433-A CARDIOVASCULAR DISORDERS A/S FERROSAN (DK) 1987-06-02 US disclosed
EP-0197282-A1 Novel oxadiazolyl imidazobenzodiazepine derivatives and methods of preparing such compounds A/S FERROSAN (DK) 1986-10-15 EP disclosed