SCHEMBL7425883

SCHEMBL7425883

CCC(C(=O)O)N1CC(=O)N(CC(C)C)c2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.46
ITGA2B P08514 13/20 0.46
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
PLAU P00749 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
ITGA2 P17301 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
SCHEMBL7427456 0.88 ITGB3 (0.47) ITGB3ITGA2BF2F10PLAU
SCHEMBL7429236 0.88 ITGB3 (0.54) ITGB3ITGA2BF2F10
SCHEMBL7421352 0.87 ITGB3 (0.45) ITGB3ITGA2BPLAU
SCHEMBL7357511 0.84 ITGB3 (0.47) ITGB3ITGA2BALDH1A1HPGDF2
SCHEMBL7425624 0.84 ITGB3 (0.42) ITGB3ITGA2BF2F10
SCHEMBL7430434 0.83 ITGB3 (0.45) ITGB3ITGA2BF2F10F7
SCHEMBL7420712 0.83 ITGB3 (0.64) ITGB3ITGA2BALDH1A1RAB9ANPC1
SCHEMBL7359225 0.82 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7356103 0.72 ITGB3 (0.57) ITGB3ITGA2BALDH1A1HPGDF2
SCHEMBL7357207 0.72 ITGB3 (0.48) ITGB3ITGA2BALDH1A1HPGDF2

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