SCHEMBL7326612

SCHEMBL7326612

CCOC(=O)CC(C)N1CC(=O)N(Cc2ccccc2)c2ccc(C#CCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
ADORA3 P0DMS8 7/20 0.35
CNR1 P21554 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
BRD4 O60885 1/20 0.33
DRD2 P14416 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7329988 0.93 ADORA3 (0.36) ITGB3ITGA2BADORA3CNR1SIGMAR1
SCHEMBL7323548 0.89 ITGB3 (0.39) ITGB3ITGA2BADORA3CNR1
SCHEMBL8842852 0.89 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1
SCHEMBL7331758 0.88 ITGB3 (0.46) ITGB3ITGA2BADORA3CNR1DRD2
SCHEMBL7319105 0.87 ITGB3 (0.39) ITGB3ITGA2BADORA3CNR1BRD4
SCHEMBL7327168 0.87 SIGMAR1 (0.37) ITGB3ITGA2BSIGMAR1BRD4DRD2
SCHEMBL7331716 0.86 ITGB3 (0.41) ITGB3ITGA2BMEN1POLBKMT2A
SCHEMBL7334965 0.86 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7323083 0.85 MDM2 (0.38) ADORA3CNR1BRD4
SCHEMBL7321894 0.84 ITGB3 (0.35) ITGB3ITGA2BMEN1POLBKMT2A

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