SCHEMBL7305518

SCHEMBL7305518

CC(C)(C)OC(=O)CC1(O)CCC(N2CCN(c3ccc(C(N)=S)nc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.42
AOC3 Q16853 4/20 0.36
GPR119 Q8TDV5 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 1/20 0.33
PARP1 P09874 2/20 0.33
TNKS O95271 1/20 0.33
PARP6 Q2NL67 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL7299584 0.91 HRH3 (0.42) HRH3AOC3GPR119MEN1KMT2A
SCHEMBL7296131 0.88 AOC3 (0.38) HRH3AOC3GPR119MEN1KMT2A
SCHEMBL7297485 0.86 MEN1 (0.45) HRH3AOC3GPR119MEN1KMT2A
SCHEMBL7344852 0.84 ITGB3 (0.45) HRH3AOC3GPR119MEN1KMT2A
SCHEMBL7303451 0.83 GPR119 (0.42) HRH3AOC3GPR119MEN1KMT2A
SCHEMBL7295272 0.83 AOC3 (0.43) HRH3AOC3GPR119MEN1KMT2A
SCHEMBL7295259 0.83 AOC3 (0.43) HRH3AOC3GPR119MEN1KMT2A
SCHEMBL7299587 0.82 HRH3 (0.36) HRH3AOC3GPR119MEN1KMT2A
SCHEMBL7304758 0.80 PANK3 (0.39) HRH3AOC3GPR119MEN1KMT2A
SCHEMBL7293154 0.79 ALDH1A1 (0.34) HRH3GPR119MEN1KMT2AMAPT

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