SCHEMBL7325197

SCHEMBL7325197

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(Cc2ccccc2)c2ccc(C#CC(=O)NCCN)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
POLB P06746 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SDCBP O00560 1/20 0.30
SDC2 P34741 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 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
SCHEMBL7326673 0.92 ITGB3 (0.43) ITGB3ITGA2BPOLBTP53MAPT
SCHEMBL7321117 0.92 ITGB3 (0.34) ITGB3ITGA2BTP53MAPT
SCHEMBL9319410 0.89 ITGB3 (0.49) ITGB3ITGA2BPOLBTP53MAPT
SCHEMBL7333128 0.89 ITGB3 (0.40) ITGB3ITGA2BMAPTKMT2A
SCHEMBL7331348 0.88 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7336048 0.87 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7321630 0.86 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7335036 0.86 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7331803 0.85 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7363193 0.85 MDM2 (0.37) TP53MAPT

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-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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed