SCHEMBL8469533

SCHEMBL8469533

CCn1c(CCC(=O)Oc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc2ccc(C#N)cc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.58
ALK Q9UM73 1/20 0.44
HRH3 Q9Y5N1 2/20 0.41
CETP P11597 1/20 0.39
CHEK2 O96017 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL8469531 0.83 GPR119 (0.56) GPR119ALKHRH3CETP
SCHEMBL8469775 0.83 GPR119 (0.60) GPR119ALKCETPCHEK2PDE4A
SCHEMBL7379427 0.82 GPR119 (0.55) GPR119ALKHRH3CETPCHEK2
SCHEMBL8469534 0.80 GPR119 (0.58) GPR119ALKHRH3CETPCHEK2
SCHEMBL8469683 0.80 GPR119 (0.57) GPR119ALKHRH3CETPCHEK2
SCHEMBL7390050 0.79 GPR119 (0.51) GPR119ALKCETPCHEK2
SCHEMBL8471547 0.79 GPR119 (0.54) GPR119ALKCETPCHEK2
SCHEMBL225375 0.78 GPR119 (0.91) GPR119ALKHRH3
SCHEMBL7390970 0.78 GPR119 (0.49) GPR119ALKCETP
SCHEMBL7379276 0.78 GPR119 (0.49) GPR119ALKCETP

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
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed