SCHEMBL7359659

SCHEMBL7359659

CN1C(=O)CN(CCC(=O)O)C(=O)c2cc(C=Cc3ccc(C(=N)N)cc3)ccc21

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.74
ITGA2B P08514 17/20 0.74
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PRMT5 O14744 1/20 0.38
PRMT1 Q99873 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7359393 0.90 ITGB3 (0.61) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363705 0.88 ITGB3 (0.59) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359240 0.85 ITGB3 (0.56) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8837187 0.85 ITGB3 (1.00) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363195 0.85 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL8992929 0.84 ITGB3 (0.54) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7427864 0.83 ITGB3 (0.70) ITGB3ITGA2BKDM4EALDH1A1HPGD
Acetic Acid SCHEMBL7358601 0.83 ITGB3 (0.70) ITGB3ITGA2BPRMT5
SCHEMBL8993058 0.83 ITGB3 (0.53) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8993122 0.82 ITGB3 (0.53) 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 8 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
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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed