SCHEMBL9075672

SCHEMBL9075672

COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(I)cc3c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 18/20 0.70
GABRG2 P18507 18/20 0.70
GABRB3 P28472 18/20 0.70
GABRA5 P31644 18/20 0.70
GABRA3 P34903 18/20 0.70
GABRA2 P47869 16/20 0.70
GABRA6 Q16445 11/20 0.70
GABRA4 P48169 10/20 0.70
GABRB2 P47870 10/20 0.70
GABRP O00591 9/20 0.70
GABRD O14764 9/20 0.70
GABRB1 P18505 9/20 0.70
GABRE P78334 9/20 0.70
GABRG1 Q8N1C3 9/20 0.70
GABRG3 Q99928 9/20 0.70
GABRQ Q9UN88 9/20 0.70
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8845288 0.90 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8176103 0.88 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10708438 0.87 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9073976 0.85 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075578 0.85 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6224370 0.85 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10390445 0.84 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075977 0.84 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076649 0.84 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9584162 0.84 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506234-A PSYCHOPHARMACEUTICAL AGENTS WHICH BIND TO BENZODIAZEPINE RECEPTORS; ANXIOLYTIC AGENTS; MINIMAL SIDE EFFECTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed