SCHEMBL7330697

SCHEMBL7330697

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(c2ccccc2)c2ccc(CCCCCN)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
ALDH1A1 P00352 1/20 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
SSTR1 P30872 1/20 0.30
SSTR2 P30874 1/20 0.30
SSTR4 P31391 1/20 0.30
SSTR3 P32745 1/20 0.30
SSTR5 P35346 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
SCHEMBL7326326 0.91 MEN1 (0.33) ITGB3ITGA2BKMT2ASSTR1SSTR2
Trifluoroacetic Acid SCHEMBL7330695 0.90 ITGB3 (0.41) ITGB3ITGA2BKMT2ASSTR1SSTR2
SCHEMBL8842957 0.89 ITGB3 (0.34) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7324411 0.89 ITGB3 (0.34) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7333911 0.89 ITGB3 (0.37) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7331333 0.88 PTGDR2 (0.35) ITGB3ITGA2BSSTR1SSTR2SSTR4
SCHEMBL7329192 0.88 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7326445 0.87 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7327346 0.86 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7330932 0.85 ITGB3 (0.36) 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-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed