SCHEMBL7327871

SCHEMBL7327871

CCOC(=O)CC(C)N1CC(=O)N(c2ccccc2)c2ccc(CCCCCC#N)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
CASP3 P42574 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 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
SCHEMBL7327121 0.91 KMT2A (0.37) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7330135 0.88 MAPT (0.40) ITGB3ITGA2BALDH1A1MAPTKMT2A
SCHEMBL7333147 0.88 ITGB3 (0.44) ITGB3ITGA2BALDH1A1KMT2APPARG
SCHEMBL7334375 0.87 ITGB3 (0.35) ITGB3ITGA2BALDH1A1PPARGPPARA
SCHEMBL7324345 0.87 GRM5 (0.36) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7359849 0.86 ITGB3 (0.41) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7335699 0.84 PDCD1 (0.38) MAPTPDCD1CD274
SCHEMBL7363260 0.83 ITGB3 (0.34) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL8843197 0.82 MAPT (0.32) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7330180 0.81 KMT2A (0.38) ITGB3ITGA2BALDH1A1CYP1A2MAPT

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