SCHEMBL7303451

SCHEMBL7303451

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.42
AOC3 Q16853 3/20 0.39
AR P10275 1/20 0.39
LCAT P04180 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
TACR3 P29371 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
USP14 P54578 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
SCHEMBL7304758 0.88 PANK3 (0.39) GPR119AOC3ARHRH3MEN1
SCHEMBL7297025 0.86 KMT2A (0.41) GPR119ARMEN1KMT2AIRAK4
SCHEMBL7299584 0.83 HRH3 (0.42) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7305518 0.83 HRH3 (0.42) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7299587 0.81 HRH3 (0.36) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7296131 0.80 AOC3 (0.38) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7295272 0.80 AOC3 (0.43) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7295259 0.80 AOC3 (0.43) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7297485 0.77 MEN1 (0.45) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7305692 0.76 ALK (0.40) GPR119ARHRH3IRAK4

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