SCHEMBL9317652

SCHEMBL9317652

CCOC(=O)CCN1CC(=O)N(C)c2ccc(Nc3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
GABRA1 P14867 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA2 P47869 4/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CASP3 P42574 1/20 0.35
TNF P01375 2/20 0.35
APP P05067 1/20 0.34
GABRB2 P47870 2/20 0.34
NAMPT P43490 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
P2RX3 P56373 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL9317827 0.92 ITGB3 (0.42) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7328382 0.90 ITGB3 (0.47) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7326953 0.88 ITGB3 (0.58) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL9317712 0.85 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77TNF
SCHEMBL7332811 0.84 CNR1 (0.42) ITGB3ITGA2BNAMPTLMNATP53
SCHEMBL7329425 0.83 ITGB3 (0.43) ITGB3ITGA2BGABRA1GABRG2GABRB3
Acetic Acid SCHEMBL9317585 0.82 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77
SCHEMBL8837011 0.82 ITGB3 (0.40) ITGB3ITGA2BPRMT5WDR77TNF
SCHEMBL9317817 0.81 ITGB3 (0.51) ITGB3ITGA2BPRMT5WDR77TNF
SCHEMBL7332526 0.79 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