SCHEMBL7330000

SCHEMBL7330000

CN1C(=O)CN(C(CC(=O)OC(=O)C(F)(F)F)c2ccccc2)C(=O)c2cc(C#CC(=O)NCCNC(=N)N)ccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
GAA P10253 1/20 0.31
HDAC1 Q13547 2/20 0.31
TP53 P04637 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL7322293 0.92 ITGB3 (0.44) ITGB3ITGA2BGAAHDAC1HDAC6
SCHEMBL7331207 0.92 ITGB3 (0.40) ITGB3ITGA2BGAA
SCHEMBL7333904 0.91 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7330627 0.91 ITGB3 (0.47) ITGB3ITGA2BGAAHDAC1TP53
SCHEMBL7322865 0.91 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7331803 0.90 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7358495 0.87 ITGB3 (0.49) ITGB3ITGA2BHDAC1TP53
SCHEMBL7331617 0.87 ITGB3 (0.47) ITGB3ITGA2BHDAC1TP53
SCHEMBL7334284 0.85 ITGB3 (0.39) ITGB3ITGA2BGAATP53
SCHEMBL7333120 0.85 ITGB3 (0.44) 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 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