SCHEMBL7304758

SCHEMBL7304758

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.39
AR P10275 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
AOC3 Q16853 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
CTSS P25774 5/20 0.34
CTSL P07711 3/20 0.34
CTSK P43235 3/20 0.34
CTSC P53634 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CHRM4 P08173 1/20 0.34
TIPARP Q7Z3E1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7303451 0.88 GPR119 (0.42) ARGPR119AOC3JAK2JAK1
SCHEMBL7297025 0.84 KMT2A (0.41) ARGPR119CTSSCTSKIRAK4
SCHEMBL7296131 0.84 AOC3 (0.38) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7295259 0.84 AOC3 (0.43) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7295272 0.84 AOC3 (0.43) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7299584 0.80 HRH3 (0.42) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7305518 0.80 HRH3 (0.42) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7299587 0.78 HRH3 (0.36) GPR119AOC3HRH3MEN1KMT2A
SCHEMBL7305692 0.77 ALK (0.40) ARGPR119IRAK4HRH3
SCHEMBL7297485 0.76 MEN1 (0.45) GPR119AOC3HRH3MEN1KMT2A

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