SCHEMBL7365574

SCHEMBL7365574

NCCCCCOc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.46
ITGA2B P08514 12/20 0.46
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ITGAV P06756 1/20 0.34
ACSL1 P33121 1/20 0.34
ACSL6 Q9UKU0 1/20 0.34

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
SCHEMBL7358910 0.87 ITGB3 (0.42) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359396 0.87 ITGB3 (0.42) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7356133 0.86 ITGB3 (0.42) ITGB3ITGA2BITGAV
SCHEMBL7357560 0.86 KDM4E (0.41) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8959490 0.86 KDM4E (0.41) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7354764 0.83 ITGB3 (0.49) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363735 0.82 ITGB3 (0.49) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7356371 0.82 ITGB3 (0.49) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7356126 0.82 ITGB3 (0.39) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7323735 0.81 KDM4E (0.37) ITGB3ITGA2BKDM4EALOX15TSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
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
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