SCHEMBL7355380

SCHEMBL7355380

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ASAH1 Q13510 2/20 0.35
GAA P10253 1/20 0.33
NAMPT P43490 2/20 0.33
THRB P10828 1/20 0.33
KDM4A O75164 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 2/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
C3AR1 Q16581 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL9284699 0.91 MEN1 (0.33) ALDH1A1ASAH1GAANAMPTKDM4A
SCHEMBL7363301 0.88 ALOX15 (0.36) ALDH1A1ALOX15MAPTSMN1; SMN2ITGB3
SCHEMBL7357665 0.87 GAA (0.36) ALDH1A1GAANAMPTMAPTITGB3
SCHEMBL7362455 0.84 ITGB3 (0.40) ALDH1A1GAAITGB3ITGA2B
SCHEMBL7354810 0.83 ITGB3 (0.41) ALDH1A1ASAH1NAMPTALOX15ITGB3
Trifluoroacetic Acid SCHEMBL7353937 0.79 ITGB3 (0.38) ASAH1NAMPTALOX15ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7326131 0.79 ITGB3 (0.38) ASAH1NAMPTALOX15ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7335741 0.79 ITGB3 (0.39) ASAH1NAMPTALOX15ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7331607 0.78 MEN1 (0.38) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7326139 0.77 ITGB3 (0.32) ASAH1ITGB3ITGA2B

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