SCHEMBL4297962

SCHEMBL4297962

CC(C)(C)OC(=O)N1CCC(C(CCCn2ccc3c(C=O)cccc32)n2ccc3c(C=O)cccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
BCHE P06276 1/20 0.39
GPR119 Q8TDV5 9/20 0.38
CNR2 P34972 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
DPP4 P27487 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4005972 0.83 GPR119 (0.46) HTR6BCHEGPR119KDM4EPKM
SCHEMBL31668267 0.79 HTR6 (0.49) HTR6BCHEGPR119CHRM2CHRM4
SCHEMBL4294437 0.76 DPP4 (0.36) GPR119DPP4
SCHEMBL4002091 0.73 GPR119 (0.48) HTR6BCHEGPR119KDM4EPKM
SCHEMBL26119737 0.69 GPR119 (0.44) HTR6GPR119CHRM2CHRM4CHRM1
SCHEMBL4151122 0.68 DPP4 (0.39) GPR119DPP4
SCHEMBL4306614 0.67 GPR119 (0.44) GPR119KDM4EPKM
SCHEMBL4171410 0.67 GPR119 (0.43) GPR119
SCHEMBL1760744 0.67 MEN1 (0.43) HTR6BCHECHRM2CHRM4CHRM1
SCHEMBL4293776 0.67 HCAR1 (0.38) GPR119DPP4

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
WO-2009079001-A1 BICYCLIC HETEROARYL-SUBSTITUTED IMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed