SCHEMBL7363452

SCHEMBL7363452

CC(C)CN1C(=O)CN(CCC(=O)OC(=O)C(F)(F)F)C(=O)c2cc(OCc3cccc(C(=N)N)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.38
ITGB3 P05106 7/20 0.38
ITGA2B P08514 7/20 0.38
F10 P00742 3/20 0.38
KLK5 Q9Y337 1/20 0.34
MRGPRX4 Q96LA9 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
SCHEMBL7330479 0.92 F2 (0.40) F2ITGB3ITGA2BF10KLK5
SCHEMBL7355156 0.92 ITGB3 (0.46) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7363449 0.90 ITGB3 (0.45) F2ITGB3ITGA2BF10MRGPRX4
SCHEMBL7329176 0.90 F2 (0.39) F2ITGB3ITGA2BF10KLK5
SCHEMBL8837043 0.89 F2 (0.40) F2ITGB3ITGA2BF10KLK5
SCHEMBL7321358 0.85 F2 (0.38) F2ITGB3ITGA2BF10
SCHEMBL7352995 0.84 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7322398 0.84 ITGB3 (0.47) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7330471 0.82 ITGB3 (0.47) F2ITGB3ITGA2BF10MRGPRX4
Trifluoroacetic Acid SCHEMBL7355147 0.82 ITGB3 (0.55) 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 6 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed