SCHEMBL7299587

SCHEMBL7299587

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
GPR119 Q8TDV5 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AOC3 Q16853 3/20 0.34
F2R P25116 1/20 0.32
EGFR P00533 1/20 0.32
WNT3A P56704 1/20 0.32
HSD11B1 P28845 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
PIK3CA P42336 1/20 0.31
SYK P43405 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
SCHEMBL7345122 0.85 ITGB3 (0.41) HRH3GPR119MEN1KMT2AEGFR
SCHEMBL7305518 0.82 HRH3 (0.42) HRH3GPR119MEN1KMT2AAOC3
SCHEMBL7299584 0.82 HRH3 (0.42) HRH3GPR119MEN1KMT2AAOC3
SCHEMBL7303451 0.81 GPR119 (0.42) HRH3GPR119MEN1KMT2AAOC3
Trifluoroacetic Acid SCHEMBL7342139 0.81 ITGB3 (0.40) HRH3GPR119MEN1KMT2AAOC3
SCHEMBL7295272 0.79 AOC3 (0.43) HRH3GPR119MEN1KMT2AAOC3
SCHEMBL7295259 0.79 AOC3 (0.43) HRH3GPR119MEN1KMT2AAOC3
SCHEMBL7296131 0.79 AOC3 (0.38) HRH3GPR119MEN1KMT2AAOC3
SCHEMBL7304758 0.78 PANK3 (0.39) HRH3GPR119MEN1KMT2AAOC3
SCHEMBL7297485 0.77 MEN1 (0.45) HRH3GPR119MEN1KMT2AAOC3

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