SCHEMBL7359668

SCHEMBL7359668

C=C(c1cccc(C(=N)N)c1)c1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2C

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.68
ITGA2B P08514 15/20 0.68
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ITGAV P06756 1/20 0.35

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
SCHEMBL7359242 0.86 ITGB3 (0.51) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363199 0.84 ITGB3 (0.49) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359324 0.84 ITGB3 (0.84) ITGB3ITGA2BKDM4EALOX15TSHR
Acetic Acid SCHEMBL7334578 0.83 ITGB3 (0.60) ITGB3ITGA2BKDM4EITGAV
Acetic Acid SCHEMBL9318257 0.83 ITGB3 (0.62) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363458 0.82 ITGB3 (0.47) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359659 0.82 ITGB3 (0.74) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8837187 0.81 ITGB3 (1.00) ITGB3ITGA2BKDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL7326572 0.80 ITGB3 (0.76) ITGB3ITGA2BKDM4EALOX15TSHR
Acetic Acid SCHEMBL7358601 0.79 ITGB3 (0.70) ITGB3ITGA2B

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 6 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-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