SCHEMBL7635187

SCHEMBL7635187

CC(C)(C)OC(=O)c1ncn2c1COc1c-2ccc(F)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.45
GABRG2 P18507 8/20 0.45
GABRB3 P28472 8/20 0.45
GABRA5 P31644 8/20 0.45
GABRA3 P34903 8/20 0.45
GABRA6 Q16445 8/20 0.45
GABRA2 P47869 6/20 0.45
GABRB2 P47870 4/20 0.43
GABRA4 P48169 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7635163 0.84 HTR1A (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7635149 0.76 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8866535 0.73 ALDH1A1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11116926 0.65 ALDH1A1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9229739 0.65 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11133327 0.64 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11885890 0.64 ALDH1A1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9078086 0.63
SCHEMBL9075030 0.63 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9077500 0.63 GABRA1 (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625982-B1 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS UPJOHN CO (US) 2002-06-12 EP claimed
US-5610158-A ANXIOLYTIC AGENTS, SEDATIVES THE UPJOHN COMPANY (US) 1997-03-11 US claimed
EP-0625982-B1 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS UPJOHN CO (US) 2002-06-12 EP disclosed
US-5610158-A ANXIOLYTIC AGENTS, SEDATIVES THE UPJOHN COMPANY (US) 1997-03-11 US disclosed
EP-0625982-A1 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS PHARMACIA & UPJOHN COMPANY (US) 1994-11-30 EP disclosed
WO-1993016082-A1 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS THE UPJOHN COMPANY (US) 1993-08-19 WO disclosed