SCHEMBL9491880

SCHEMBL9491880

CCOC(=O)CC(C)N1CC(=O)N(C)c2ccc(C#CC(S)C(N)C(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.49
ITGA2B P08514 7/20 0.49
GABRA5 P31644 13/20 0.36
GABRA1 P14867 12/20 0.36
GABRG2 P18507 12/20 0.36
GABRB3 P28472 12/20 0.36
GABRA3 P34903 11/20 0.36
GABRA2 P47869 11/20 0.36
GABRB2 P47870 5/20 0.36
GABRA6 Q16445 9/20 0.35
GABRA4 P48169 5/20 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
SCHEMBL7363816 0.85 ITGB3 (0.46) ITGB3ITGA2BGABRA5GABRA1GABRG2
SCHEMBL7327746 0.83 ITGB3 (0.48) ITGB3ITGA2BGABRA5GABRA1GABRG2
SCHEMBL7331758 0.80 ITGB3 (0.46) ITGB3ITGA2BGABRA5GABRA1GABRG2
SCHEMBL7321185 0.78 ITGB3 (0.52) ITGB3ITGA2BGABRA5GABRA1GABRG2
SCHEMBL7330261 0.77 ITGB3 (0.55) ITGB3ITGA2BGABRA5GABRA1GABRG2
SCHEMBL7331776 0.77 ITGB3 (0.57) ITGB3ITGA2BGABRA5GABRA1GABRG2
SCHEMBL7332398 0.77 ITGB3 (0.39) ITGB3ITGA2BGABRA5GABRA1GABRG2
SCHEMBL9009458 0.76 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7329148 0.76 ITGB3 (0.40) ITGB3ITGA2BGABRA5GABRA1GABRG2
SCHEMBL7330636 0.75 ITGB3 (0.39) ITGB3ITGA2BGABRA5GABRA1GABRG2

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
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed