SCHEMBL7327346

SCHEMBL7327346

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(c2ccccc2)c2ccc(CCCCOc3cccnc3N)cc2C1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
PIK3CD O00329 1/20 0.30
PIK3R2 O00459 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL7334108 0.92 MEN1 (0.31)
Trifluoroacetic Acid SCHEMBL7327342 0.92 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7322230 0.90 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL9009482 0.90 PTGDR2 (0.34) ITGB3ITGA2B
SCHEMBL7326515 0.90 RXRA (0.32) ITGB3ITGA2B
SCHEMBL7325591 0.87 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7330697 0.86 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7333627 0.85
SCHEMBL7319156 0.85 MEN1 (0.33)
SCHEMBL7332680 0.84 ITGB3 (0.34) 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 4 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
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