SCHEMBL7320902

SCHEMBL7320902

CCOC(=O)CC(C)N1CC(=O)N(c2ccccc2)c2ccc(C#Cc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GRM5 P41594 3/20 0.38
CYP1A2 P05177 1/20 0.38
ELANE P08246 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GABRB2 P47870 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL7334649 0.91 GABRA1 (0.38) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7324345 0.90 GRM5 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330261 0.88 ITGB3 (0.55) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7322812 0.87 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7328359 0.87 ITGB3 (0.43) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7359849 0.87 ITGB3 (0.41) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7321744 0.86 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7330180 0.83 KMT2A (0.38) ITGB3ITGA2BCYP1A2
SCHEMBL7363260 0.82 ITGB3 (0.34) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7329950 0.82 ITGB3 (0.39) ITGB3ITGA2BGABRA1GABRG2GABRB3

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