SCHEMBL4718792

SCHEMBL4718792

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Oc2cc(F)ccc2F)ncn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.38
CHRM2 P08172 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR2A P28223 1/20 0.37
ACACB O00763 2/20 0.36
GPR119 Q8TDV5 5/20 0.35
TBK1 Q9UHD2 1/20 0.34
RBP4 P02753 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
SCHEMBL4721685 0.92 CHRM4 (0.38) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL388956 0.88 GPR119 (0.46) CHRM4GPR119TBK1
SCHEMBL4721775 0.87 GPR119 (0.39) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL4763290 0.84 TBK1 (0.40) HTR2CSLC6A4HTR2AACACBGPR119
SCHEMBL27769070 0.83 CHRM4 (0.43) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL4719875 0.83 MKNK1 (0.39) HTR2CSLC6A4HTR2AACACBGPR119
SCHEMBL4721984 0.82 HTR2C (0.40) HTR2CSLC6A4HTR2AACACBGPR119
SCHEMBL391299 0.80 GPR119 (0.46) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL4719039 0.80 GPR119 (0.34) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL4719868 0.80 SSTR4 (0.35) ACACBGPR119TBK1

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-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed