SCHEMBL8845288

SCHEMBL8845288

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.76
GABRG2 P18507 17/20 0.76
GABRB3 P28472 17/20 0.76
GABRA5 P31644 17/20 0.76
GABRA3 P34903 17/20 0.76
GABRA2 P47869 15/20 0.76
GABRB2 P47870 11/20 0.76
GABRA6 Q16445 11/20 0.76
GABRP O00591 10/20 0.76
GABRD O14764 10/20 0.76
GABRB1 P18505 10/20 0.76
GABRA4 P48169 10/20 0.76
GABRE P78334 10/20 0.76
GABRG1 Q8N1C3 10/20 0.76
GABRG3 Q99928 10/20 0.76
GABRQ Q9UN88 10/20 0.76
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
UBE2N P61088 1/20 0.48

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
SCHEMBL7494399 0.90 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075672 0.90 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8176103 0.90 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9073976 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075578 0.87 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6224370 0.87 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075977 0.86 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076649 0.86 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9584162 0.86 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10390445 0.86 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5254563-A Bioavailability; central nervous system disorders SCHERING AKTIENGESELLSCHAFT (DE) 1993-10-19 US disclosed