SCHEMBL7358573

SCHEMBL7358573

CCC(C(=O)O)N1CC(=O)N(Cc2ccc(Cl)cc2)c2ccc(C=Cc3ccc(C(=N)N)cc3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.42
ITGA2B P08514 15/20 0.42
ALDH3A1 P30838 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7357511 0.86 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7357089 0.85 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7421352 0.85 ITGB3 (0.45) ITGB3ITGA2BHDAC1HDAC6HDAC8
SCHEMBL7356103 0.85 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7359512 0.84 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7357207 0.83 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7363195 0.82 ITGB3 (0.55) ITGB3ITGA2BALDH3A1HDAC1HDAC6
SCHEMBL7361182 0.80 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7361482 0.77 SDCBP (0.37) ALDH3A1HDAC1HDAC6HDAC8
SCHEMBL7355540 0.74 ITGB3 (0.39) ITGB3ITGA2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed