SCHEMBL7323212

SCHEMBL7323212

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.42
ITGA2B P08514 9/20 0.42
HDAC1 Q13547 4/20 0.32
HDAC6 Q9UBN7 2/20 0.32
POLB P06746 1/20 0.31
TP53 P04637 2/20 0.30
MAPT P10636 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
SCHEMBL7324693 0.93 ITGB3 (0.37) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7326673 0.91 ITGB3 (0.43) ITGB3ITGA2BPOLBTP53MAPT
SCHEMBL7321630 0.90 ITGB3 (0.41) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7329607 0.89 ITGB3 (0.43) ITGB3ITGA2BHDAC1HDAC6MAPT
SCHEMBL7327955 0.88 ITGB3 (0.53) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7331627 0.88 ITGB3 (0.45) ITGB3ITGA2BPOLBTP53
SCHEMBL7321434 0.88 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7330483 0.87 ITGB3 (0.36) ITGB3ITGA2BPOLB
SCHEMBL7327465 0.87 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7333410 0.86 MDM2 (0.37) ITGB3ITGA2BHDAC1HDAC6TP53

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 9 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
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