SCHEMBL7359698

SCHEMBL7359698

CN1C(=O)CN(CCC(=O)O)C(=O)c2cc(-c3ccc(OCCN)cc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.57
ITGA2B P08514 8/20 0.57
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ITGAV P06756 1/20 0.37
FFAR4 Q5NUL3 6/20 0.36
FFAR1 O14842 4/20 0.36
MMP2 P08253 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL7353334 0.89 ITGB3 (0.45) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7354009 0.87 ITGB3 (0.44) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7354015 0.86 ITGB3 (0.45) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7356570 0.86 ITGB3 (0.42) ITGB3ITGA2BMAPK1NR1H2NR1H3
SCHEMBL7358910 0.85 ITGB3 (0.42) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359718 0.84 ITGB3 (0.41) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7356563 0.82 ITGB3 (0.38) ITGB3ITGA2BNR1H2NR1H3
SCHEMBL7363380 0.82 ITGB3 (0.40) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL7363866 0.82 ITGB3 (0.37) ITGB3ITGA2BFFAR4FFAR1MAPK1
SCHEMBL7356558 0.81 ITGB3 (0.43) ITGB3ITGA2BKDM4EMAPK1NR1H2

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 10 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
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