SCHEMBL7329513

SCHEMBL7329513

CN1C(=O)C(c2ccccc2)N(C(CC(=O)OC(=O)C(F)(F)F)c2ccccc2)C(=O)c2cc(C#Cc3cccc(CN)c3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
CCKBR P32239 1/20 0.31
TPSAB1 Q15661 2/20 0.30
HDAC1 Q13547 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
SCHEMBL7333804 0.92 ITGB3 (0.36) MDM2ITGB3ITGA2BCCKBRTPSAB1
SCHEMBL7322119 0.92 MDM2 (0.34) MDM2ITGB3ITGA2BTPSAB1
SCHEMBL7327026 0.91 MDM2 (0.37) MDM2
SCHEMBL7326181 0.91 MDM2 (0.31) MDM2
SCHEMBL8842997 0.90 ITGB3 (0.35) MDM2ITGB3ITGA2B
SCHEMBL7325875 0.87 MDM2 (0.34) MDM2ITGB3ITGA2BHDAC1
SCHEMBL7325231 0.87 HDAC1 (0.39) MDM2ITGB3ITGA2BHDAC1
SCHEMBL7331959 0.85 MDM2 (0.33) MDM2ITGB3ITGA2BHDAC1
SCHEMBL7328023 0.84 MDM2 (0.34) MDM2ITGB3ITGA2BTPSAB1
SCHEMBL7325832 0.84 MDM2 (0.33) MDM2ITGB3ITGA2BTPSAB1

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