SCHEMBL9317827

SCHEMBL9317827

CCOC(=O)CCN1CC(=O)N(C)c2ccc(Nc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
BRD4 O60885 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
SETD7 Q8WTS6 1/20 0.35
THRB P10828 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL9317652 0.92 ITGB3 (0.45) ITGB3ITGA2BPRMT5WDR77GABRA1
SCHEMBL7332811 0.88 CNR1 (0.42) ITGB3ITGA2BL3MBTL1MEN1KMT2A
SCHEMBL7328382 0.84 ITGB3 (0.47) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL9317817 0.84 ITGB3 (0.51) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL7326953 0.82 ITGB3 (0.58) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL9317712 0.81 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77
SCHEMBL8837011 0.80 ITGB3 (0.40) ITGB3ITGA2BPRMT5WDR77ALDH1A1
Acetic Acid SCHEMBL9317585 0.79 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77
SCHEMBL7329425 0.78 ITGB3 (0.43) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7332526 0.77 ITGB3 (0.46) ITGB3ITGA2BGABRA1GABRG2GABRB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed