SCHEMBL4721775

SCHEMBL4721775

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Oc2ccccc2Cl)ncn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.39
MAP2K7 O14733 1/20 0.35
SSTR4 P31391 5/20 0.35
SSTR1 P30872 4/20 0.35
ACACB O00763 2/20 0.34
CHRM4 P08173 2/20 0.34
TBK1 Q9UHD2 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
DCK P27707 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
S1PR1 P21453 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32

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 0.91 CHRM4 (0.38) GPR119MAP2K7SSTR4SSTR1ACACB
SCHEMBL389866 0.88 GPR119 (0.46) GPR119TBK1
SCHEMBL4718792 0.87 CHRM4 (0.38) GPR119ACACBCHRM4TBK1CHRM2
SCHEMBL4719132 0.84 LCK (0.36) GPR119SSTR4SSTR1ACACBTBK1
SCHEMBL391299 0.79 GPR119 (0.46) GPR119CHRM4TBK1CHRM2CHRM5
SCHEMBL4723214 0.79 ERBB2 (0.39) TBK1
SCHEMBL4719868 0.78 SSTR4 (0.35) GPR119SSTR4SSTR1ACACBTBK1
SCHEMBL4718652 0.76 TBK1 (0.39) GPR119ACACBTBK1
SCHEMBL4723287 0.75 TBK1 (0.39) GPR119ACACBTBK1S1PR1
SCHEMBL4722459 0.75 TBK1 (0.38) GPR119ACACBTBK1S1PR1

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