SCHEMBL7326783

SCHEMBL7326783

CCOC(=O)CCN1CC(=O)N(CC)c2ccc(OCc3cccc(C(=N)N)c3)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.43
ITGB3 P05106 7/20 0.41
ITGA2B P08514 7/20 0.41
F10 P00742 5/20 0.40
KLK5 Q9Y337 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8837043 0.93 F2 (0.40) F2ITGB3ITGA2BF10KLK5
SCHEMBL7333070 0.91 ITGB3 (0.51) F2ITGB3ITGA2BF10
SCHEMBL7328483 0.89 F2 (0.41) F2ITGB3ITGA2BF10KLK5
SCHEMBL7330479 0.89 F2 (0.40) F2ITGB3ITGA2BF10KLK5
Trifluoroacetic Acid SCHEMBL7330471 0.87 ITGB3 (0.47) F2ITGB3ITGA2BF10
SCHEMBL7364232 0.87 F2 (0.39) F2ITGB3ITGA2BF10NPC1
SCHEMBL7334604 0.85 PDCD1 (0.43)
SCHEMBL8837035 0.84 ITGB3 (0.48) F2ITGB3ITGA2BF10
SCHEMBL7323443 0.83 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7325904 0.82 BRD4 (0.42) F2ITGB3ITGA2BF10SMN1; SMN2

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
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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