SCHEMBL459456

SCHEMBL459456

CCc1cnc(N2CCC(CCOc3cnc(Cl)nc3)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
ACACB O00763 2/20 0.36
PTPN11 Q06124 2/20 0.35
CHRM4 P08173 2/20 0.34
PPARG P37231 4/20 0.32
PPARD Q03181 4/20 0.32
PPARA Q07869 3/20 0.32
SMO Q99835 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL459455 0.80 GPR119 (0.33) GPR119ACACBSMO
SCHEMBL16187538 0.76 NFE2L2 (0.42) ACACB
SCHEMBL9925927 0.74 MAPT (0.47) GPR119
SCHEMBL462366 0.71 ALOX5AP (0.37) GPR119ACACBPPARGPPARDPPARA
SCHEMBL8513708 0.70 SMO (0.42) GPR119PTPN11SMO
SCHEMBL11919298 0.70 CKS1B (0.49) GPR119PTPN11
SCHEMBL121187 0.70 GPR119 (0.49) GPR119ACACB
SCHEMBL12989025 0.69 ACHE (0.38) GPR119
SCHEMBL5884674 0.69 GPR119 (0.38) GPR119ACACBPTPN11
SCHEMBL457426 0.68 GPR119 (0.62) GPR119

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed