SCHEMBL7357665

SCHEMBL7357665

CCC(C(=O)O)N1CC(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(OCCCCNC(=N)N)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ITGB3 P05106 6/20 0.33
ITGA2B P08514 6/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
NAMPT P43490 1/20 0.33
MAPT P10636 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
F10 P00742 1/20 0.31
MEN1 O00255 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KMT2A Q03164 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
SCHEMBL7356126 0.87 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7355380 0.87 ALDH1A1 (0.36) GAAALDH1A1ITGB3ITGA2BNAMPT
SCHEMBL7362455 0.85 ITGB3 (0.40) GAAALDH1A1ITGB3ITGA2B
SCHEMBL7359396 0.83 ITGB3 (0.42) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7353455 0.82 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7358610 0.80 PLA2G4A (0.35) ITGB3ITGA2BMAPT
SCHEMBL7358863 0.79 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL9284699 0.78 MEN1 (0.33) GAAALDH1A1ITGB3ITGA2BNAMPT
SCHEMBL9282865 0.77 ITGB3 (0.36) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7430434 0.75 ITGB3 (0.45) ITGB3ITGA2BF10

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 5 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-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed