SCHEMBL7357237

SCHEMBL7357237

CC(C)N1C(=O)CN(C(C)(C)C(=O)O)C(=O)c2cc(-c3ccc(OCCN)cc3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.33
RARB P10826 4/20 0.33
RARA P10276 3/20 0.33
RARG P13631 2/20 0.33
ENPP2 Q13822 2/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
MAP4K4 O95819 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
PDE5A O76074 1/20 0.31
KCNH2 Q12809 1/20 0.31
MINK1 Q8N4C8 1/20 0.31

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
SCHEMBL7357036 0.92 ITGB3 (0.33) MAP3K5RARBRARARARGITGB3
SCHEMBL7356563 0.88 ITGB3 (0.38) RARBRARARARGITGB3ITGA2B
SCHEMBL7357233 0.83 ITGB3 (0.35) MAP3K5RARBRARAENPP2ITGB3
SCHEMBL7353334 0.83 ITGB3 (0.45) MAP3K5ENPP2ITGB3ITGA2B
SCHEMBL7359440 0.81 MAP4K4 (0.39) MAP4K4PDE5AKCNH2MINK1
SCHEMBL7353747 0.81 ACACA (0.34) MAP3K5RARBRARAENPP2ITGB3
SCHEMBL7362405 0.80 CHRM5 (0.43) RARBRARAHRH3KCNH2
SCHEMBL7362418 0.78 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7354015 0.75 ITGB3 (0.45) ENPP2ITGB3ITGA2B
SCHEMBL7356059 0.74 ACACA (0.33) RARBRARAITGB3ITGA2B

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
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-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