SCHEMBL9075869

SCHEMBL9075869

COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(C(C)c4ccccc4)cc3c12

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.73
GABRG2 P18507 16/20 0.73
GABRB3 P28472 16/20 0.73
GABRA5 P31644 16/20 0.73
GABRA3 P34903 16/20 0.73
GABRA2 P47869 14/20 0.73
GABRP O00591 10/20 0.73
GABRD O14764 10/20 0.73
GABRB1 P18505 10/20 0.73
GABRB2 P47870 10/20 0.73
GABRA4 P48169 10/20 0.73
GABRE P78334 10/20 0.73
GABRA6 Q16445 10/20 0.73
GABRG1 Q8N1C3 10/20 0.73
GABRG3 Q99928 10/20 0.73
GABRQ Q9UN88 10/20 0.73
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL9073654 0.92 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9077147 0.92 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076862 0.91 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074677 0.89 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9073976 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845288 0.85 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6224370 0.85 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389549 0.85 GABRA1 (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074103 0.85 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA5GABRA3
Abecarnil SCHEMBL29716465 0.84 GABRA1 (1.00) 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