SCHEMBL8515468

SCHEMBL8515468

CCc1cnc(N2CCC(Oc3ccc(C)nc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.53
CHRM4 P08173 12/20 0.50
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNB3 Q05901 1/20 0.45
ACACB O00763 1/20 0.43

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
SCHEMBL8513552 0.88 GPR119 (0.51) GPR119CHRM4ACACB
SCHEMBL3343984 0.81 ACACB (0.52) GPR119ACACB
SCHEMBL3342687 0.81 GPR119 (0.52) GPR119ACACB
SCHEMBL3341593 0.80 GPR119 (0.51) GPR119ACACB
SCHEMBL12239173 0.80 GPR119 (0.48) GPR119ACACB
SCHEMBL22860581 0.80 HRH3 (0.57) CHRM4CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3178150 0.78 GPR119 (0.54) GPR119ACACB
SCHEMBL22198920 0.78 CHRM4 (0.55) CHRM4CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL27855620 0.78 AOC3 (0.51) GPR119
SCHEMBL461236 0.77 GPR119 (0.53) GPR119ACACB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed