SCHEMBL10964002

SCHEMBL10964002

COCc1ncn2c1CN(C)C(=O)c1ccccc1-2

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.72
GABRB3 P28472 7/20 0.72
GABRA5 P31644 7/20 0.72
GABRA1 P14867 5/20 0.72
GABRA3 P34903 5/20 0.72
GABRA2 P47869 5/20 0.72
GABRA6 Q16445 4/20 0.72
GABRA4 P48169 1/20 0.72

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
SCHEMBL7269608 0.88 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10964635 0.85 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL13321576 0.85 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6847260 0.84 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL17088109 0.84 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10962317 0.81 GABRG2 (0.64) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL13353376 0.81 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL11233075 0.79 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10568710 0.78 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9670393 0.78 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3

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-4352818-A ANTIDOTES FOR INTOXICATION CAUSED BY 1,4-BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US claimed
EP-0059390-A1 Imidazodiazepines, intermediate products and process for their preparation, and medicines containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-08 EP claimed
EP-0059390-B1 IMIDAZODIAZEPINES, INTERMEDIATE PRODUCTS AND PROCESS FOR THEIR PREPARATION, AND MEDICINES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-29 EP disclosed
US-4352818-A ANTIDOTES FOR INTOXICATION CAUSED BY 1,4-BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US disclosed
EP-0059390-A1 Imidazodiazepines, intermediate products and process for their preparation, and medicines containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-08 EP disclosed