SCHEMBL7330741

SCHEMBL7330741

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(C(C)C)c2ccc(C#Cc3ccc([N+](=O)[O-])cc3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
TNF P01375 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL7328698 0.91 ITGB3 (0.49) MAPTKDM4ELMNAITGB3ITGA2B
SCHEMBL7324497 0.90 ITGB3 (0.46) MAPTKDM4ELMNAITGB3ITGA2B
SCHEMBL7325626 0.89 KDM4E (0.44) MAPTKDM4ELMNAITGB3ITGA2B
SCHEMBL7325707 0.88 MAPT (0.43) MAPTKDM4ELMNAITGB3ITGA2B
SCHEMBL7329950 0.87 ITGB3 (0.39) MAPTITGB3ITGA2BRARARARB
SCHEMBL7333110 0.84 ITGB3 (0.37) MAPTITGB3ITGA2BRARARARB
SCHEMBL7330122 0.84 MAPT (0.42) MAPTKDM4ELMNATNFADORA3
SCHEMBL7334373 0.82 MEN1 (0.39) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL7321744 0.82 ITGB3 (0.46) MAPTKDM4ELMNAITGB3ITGA2B
SCHEMBL7324841 0.81 ITGB3 (0.44) MAPTKDM4ELMNAITGB3ITGA2B

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