SCHEMBL8871083

SCHEMBL8871083

COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.65
GABRG2 P18507 15/20 0.65
GABRB3 P28472 15/20 0.65
GABRA5 P31644 15/20 0.65
GABRA3 P34903 15/20 0.65
GABRA2 P47869 13/20 0.65
GABRP O00591 8/20 0.65
GABRD O14764 8/20 0.65
GABRB1 P18505 8/20 0.65
GABRB2 P47870 8/20 0.65
GABRA4 P48169 8/20 0.65
GABRE P78334 8/20 0.65
GABRA6 Q16445 8/20 0.65
GABRG1 Q8N1C3 8/20 0.65
GABRG3 Q99928 8/20 0.65
GABRQ Q9UN88 8/20 0.65
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 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
SCHEMBL9687514 0.88 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8871980 0.85 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8871232 0.84 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534901 0.84 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10390445 0.84 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389549 0.83 GABRA1 (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389320 0.83 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389613 0.83 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8871200 0.83 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8871996 0.83 GABRA1 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698555-A ANTICONVULSANTS, ANXIOLYTIC AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
US-5348958-A Quinoline, isoquinoline or quinoxaline derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed