SCHEMBL7333804

SCHEMBL7333804

CC(CC(=O)OC(=O)C(F)(F)F)N1C(=O)c2cc(C#Cc3cccc(CN)c3)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
MDM2 Q00987 4/20 0.35
CCKBR P32239 1/20 0.32
PTGES O14684 3/20 0.32
TPSAB1 Q15661 7/20 0.32
HDAC1 Q13547 1/20 0.31

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
SCHEMBL7329513 0.92 MDM2 (0.34) ITGB3ITGA2BMDM2CCKBRTPSAB1
SCHEMBL7328023 0.92 MDM2 (0.34) ITGB3ITGA2BMDM2PTGESTPSAB1
SCHEMBL7325832 0.91 MDM2 (0.33) ITGB3ITGA2BMDM2PTGESTPSAB1
SCHEMBL7331591 0.91 MDM2 (0.39) ITGB3ITGA2BMDM2PTGESTPSAB1
SCHEMBL7330606 0.90 ITGB3 (0.38) ITGB3ITGA2BMDM2CCKBRPTGES
SCHEMBL7332363 0.87 MDM2 (0.35) ITGB3ITGA2BMDM2HDAC1
SCHEMBL7329461 0.87 HDAC1 (0.40) ITGB3ITGA2BMDM2HDAC1
SCHEMBL7322119 0.85 MDM2 (0.34) ITGB3ITGA2BMDM2PTGESTPSAB1
SCHEMBL7321138 0.85 MDM2 (0.34) ITGB3ITGA2BMDM2HDAC1
SCHEMBL7326181 0.83 MDM2 (0.31) MDM2

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