SCHEMBL7356103

SCHEMBL7356103

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.57
ITGA2B P08514 13/20 0.57
F2 P00734 3/20 0.37
F10 P00742 2/20 0.37
PRMT5 O14744 1/20 0.36
PRMT1 Q99873 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
KLK1 P06870 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
SCHEMBL7357207 0.90 ITGB3 (0.48) ITGB3ITGA2BF2F10PRMT5
SCHEMBL7357511 0.88 ITGB3 (0.47) ITGB3ITGA2BF2F10PRMT5
SCHEMBL7361182 0.87 ITGB3 (0.44) ITGB3ITGA2BF2F10PLG
SCHEMBL7358573 0.85 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7429236 0.84 ITGB3 (0.54) ITGB3ITGA2BF2F10
SCHEMBL7358364 0.83 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7359512 0.83 ITGB3 (0.41) ITGB3ITGA2BF2F10
SCHEMBL7359659 0.80 ITGB3 (0.74) ITGB3ITGA2BPRMT5PRMT1ALDH1A1
SCHEMBL7427456 0.73 ITGB3 (0.47) ITGB3ITGA2BF2F10PLAU
SCHEMBL7359393 0.73 ITGB3 (0.61) ITGB3ITGA2BPRMT5PRMT1

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