SCHEMBL7326673

SCHEMBL7326673

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.43
ITGA2B P08514 13/20 0.43
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7331803 0.93 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7325197 0.92 ITGB3 (0.40) ITGB3ITGA2BPOLBTP53MAPT
SCHEMBL7323212 0.91 ITGB3 (0.42) ITGB3ITGA2BPOLBTP53MAPT
SCHEMBL7333120 0.89 ITGB3 (0.44) ITGB3ITGA2BMAPTKMT2A
SCHEMBL7331627 0.88 ITGB3 (0.45) ITGB3ITGA2BPOLBTP53
SCHEMBL7322865 0.88 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7327769 0.87 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7327465 0.87 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7330483 0.86 ITGB3 (0.36) ITGB3ITGA2BPOLBKMT2A
SCHEMBL7331728 0.86 HDAC3 (0.37) ITGB3ITGA2BPOLB

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