SCHEMBL7326338

SCHEMBL7326338

CC(C)N1C(=O)C(c2ccccc2)N(C(C)CC(=O)OC(=O)C(F)(F)F)C(=O)c2cc(C#Cc3cccc(CNC(=N)N)c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
MDM2 Q00987 1/20 0.31
PTGES O14684 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
SCHEMBL7330242 0.94 ITGB3 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7330606 0.93 ITGB3 (0.38) ITGB3ITGA2BMDM2PTGES
SCHEMBL7330207 0.92 ITGB3 (0.33) ITGB3ITGA2BMDM2PTGES
SCHEMBL7326786 0.92 MDM2 (0.36) ITGB3ITGA2BMDM2PTGES
SCHEMBL7328023 0.90 MDM2 (0.34) ITGB3ITGA2BMDM2PTGES
SCHEMBL7326494 0.87 ITGB3 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7322495 0.87 ITGB3 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7326306 0.87 HDAC1 (0.33) ITGB3ITGA2BMDM2
SCHEMBL8842997 0.86 ITGB3 (0.35) ITGB3ITGA2BMDM2
SCHEMBL7326013 0.84 MDM2 (0.34) 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 6 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
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