SCHEMBL7330768

SCHEMBL7330768

CCOC(=O)CC(C)N1CC(=O)N(C(C)C)c2ccc(CCCOc3cc(C)nc(NC(=O)OC(C)(C)C)n3)cc2C1=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL7324165 0.93 ITGB3 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7322383 0.91 MEN1 (0.31)
SCHEMBL7331085 0.90 MEN1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7331213 0.89 MEN1 (0.33)
SCHEMBL7334607 0.86 ITGB3 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7322552 0.84 MEN1 (0.31)
SCHEMBL7324997 0.83 CASR (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7326385 0.83 MEN1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7326575 0.82 MEN1 (0.31)
SCHEMBL7329983 0.82 TPSAB1 (0.36)

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
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed