SCHEMBL7356563

SCHEMBL7356563

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
HRH3 Q9Y5N1 3/20 0.34
RARA P10276 3/20 0.34
RARB P10826 3/20 0.34
RARG P13631 2/20 0.34
MAP4K4 O95819 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
CHRM5 P08912 2/20 0.33
PDE5A O76074 1/20 0.32
KCNH2 Q12809 1/20 0.32
MINK1 Q8N4C8 1/20 0.32

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
SCHEMBL7357237 0.88 MAP3K5 (0.33) ITGB3ITGA2BHRH3RARARARB
SCHEMBL7357036 0.85 ITGB3 (0.33) ITGB3ITGA2BHRH3RARARARB
SCHEMBL7359440 0.84 MAP4K4 (0.39) MAP4K4PPARGPPARACHRM5PDE5A
SCHEMBL7359698 0.82 ITGB3 (0.57) ITGB3ITGA2BNR1H2NR1H3
SCHEMBL7362405 0.82 CHRM5 (0.43) HRH3RARARARBHRH1CHRM5
SCHEMBL7356558 0.81 ITGB3 (0.43) ITGB3ITGA2BHRH3RARARARB
SCHEMBL7356570 0.80 ITGB3 (0.42) ITGB3ITGA2BHRH3RARBNR1H2
SCHEMBL7363866 0.80 ITGB3 (0.37) ITGB3ITGA2BHRH3RARARARB
SCHEMBL7353334 0.72 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7354009 0.70 ITGB3 (0.44) 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