SCHEMBL8845205

SCHEMBL8845205

COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(OCc4ccc(Cl)cc4Cl)cc3c12

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.72
GABRG2 P18507 17/20 0.72
GABRB3 P28472 17/20 0.72
GABRA5 P31644 17/20 0.72
GABRA3 P34903 17/20 0.72
GABRA2 P47869 15/20 0.72
GABRP O00591 8/20 0.72
GABRD O14764 8/20 0.72
GABRB1 P18505 8/20 0.72
GABRB2 P47870 8/20 0.72
GABRA4 P48169 8/20 0.72
GABRE P78334 8/20 0.72
GABRA6 Q16445 8/20 0.72
GABRG1 Q8N1C3 8/20 0.72
GABRG3 Q99928 8/20 0.72
GABRQ Q9UN88 8/20 0.72
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
SCHEMBL8845416 0.91 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845459 0.89 GABRA1 (0.84) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10388630 0.88 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535915 0.87 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838294 0.87 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845232 0.87 GABRA1 (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075144 0.85 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845905 0.85 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536286 0.85 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534849 0.84 GABRA1 (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5414002-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-09 US claimed
EP-0239667-B1 5-OR 6-SUBSTITUTED BETA-CARBOLINE-3-CARBOXYLIC-ACID ESTERS SCHERING AKTIENGESELLSCHAFT (DE) 1991-05-02 EP claimed
US-5700808-A TREATING SLEEP DISTURBANCE, EPILEPSY SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-23 US disclosed
US-5414002-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-09 US disclosed