SCHEMBL7295259

SCHEMBL7295259

CC(C)(C)OC(=O)CC1(O)CCC(N2CCN(c3cnc(C(=N)N)nc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.43
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
HRH3 Q9Y5N1 3/20 0.33
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
SYK P43405 1/20 0.31
OPRL1 P41146 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
SCHEMBL7295272 1.00 AOC3 (0.43) AOC3ITGB3ITGA2BALOX15MEN1
SCHEMBL7296131 0.91 AOC3 (0.38) AOC3ITGB3ITGA2BMEN1KMT2A
SCHEMBL7299584 0.88 HRH3 (0.42) AOC3ITGB3ITGA2BALOX15MEN1
SCHEMBL7294985 0.85 ITGB3 (0.45) AOC3ITGB3ITGA2BALOX15HRH3
SCHEMBL7294952 0.85 ITGB3 (0.45) AOC3ITGB3ITGA2BALOX15HRH3
SCHEMBL7295015 0.85 ITGB3 (0.45) AOC3ITGB3ITGA2BALOX15HRH3
SCHEMBL7304758 0.84 PANK3 (0.39) AOC3MEN1KMT2AGPR119HRH3
SCHEMBL7305518 0.83 HRH3 (0.42) AOC3ITGB3ITGA2BMEN1KMT2A
SCHEMBL7303451 0.80 GPR119 (0.42) AOC3MEN1KMT2AGPR119HRH3
SCHEMBL7299587 0.79 HRH3 (0.36) AOC3MEN1KMT2AGPR119HRH3

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-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed