SCHEMBL7363816

SCHEMBL7363816

CCOC(=O)CC(C)N1CC(=O)N(C)c2ccc(C#CC(S)CNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
GABRA1 P14867 11/20 0.35
GABRA5 P31644 11/20 0.35
GABRG2 P18507 10/20 0.35
GABRB3 P28472 10/20 0.35
GABRA3 P34903 10/20 0.35
GABRA2 P47869 10/20 0.35
GABRB2 P47870 6/20 0.35
GABRA6 Q16445 8/20 0.34
GABRA4 P48169 4/20 0.34
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL7332398 0.92 ITGB3 (0.39) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7329148 0.90 ITGB3 (0.40) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7323162 0.89 ITGB3 (0.39) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7334965 0.88 ITGB3 (0.38) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7331758 0.85 ITGB3 (0.46) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL9491880 0.85 ITGB3 (0.49) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7321637 0.83 UTS2R (0.36) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7325129 0.82 ITGB3 (0.34) ITGB3ITGA2BGABRA1GABRA5GABRG2
SCHEMBL7328784 0.81 MDM2 (0.34) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL7327746 0.81 ITGB3 (0.48) ITGB3ITGA2BGABRA1GABRA5GABRG2

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 5 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed