SCHEMBL7345216

SCHEMBL7345216

C[C@H]1CN(CC(=O)OC(C)(C)C)CC[C@H]1N1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
CHRM4 P08173 3/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
ESR1 P03372 1/20 0.38
MEN1 O00255 1/20 0.37
CCR5 P51681 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
USP14 P54578 3/20 0.37
USP5 P45974 1/20 0.37
USP7 Q93009 1/20 0.37

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
SCHEMBL7344717 0.86 ITGB3 (0.47) ARCHRM4POLBCTSSCTSK
SCHEMBL8686539 0.86 CHRM4 (0.39) ARCHRM4POLBCHRM2CTSS
SCHEMBL7338620 0.84 GPR119 (0.40) GPR119MEN1
SCHEMBL7338598 0.84 GPR119 (0.40) GPR119MEN1
SCHEMBL7338609 0.84 GPR119 (0.40) GPR119MEN1
SCHEMBL7337986 0.82 GPR119 (0.50) ARCHRM4POLBGPR119USP14
SCHEMBL8783534 0.80 PANK3 (0.36) ARCHRM4POLBCTSSCTSK
Acetic Acid SCHEMBL7345220 0.80 CTSS (0.39) ARCHRM4POLBCHRM2CTSS
SCHEMBL8686522 0.78 CHRM4 (0.38) ARCHRM4CHRM2CTSSCTSK
SCHEMBL8688902 0.77 USP14 (0.42) CHRM4POLBCTSSCTSKMEN1

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-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed