SCHEMBL3342989

SCHEMBL3342989

CC(C)(C)OC(=O)N1CC=C(c2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.62
▸ NAMPT P43490 1/20 0.53
▸ PDK4 Q16654 1/20 0.51
▸ TNK2 Q07912 1/20 0.51
▸ BTK Q06187 1/20 0.50
▸ HTR6 P50406 1/20 0.49
▸ GCK P35557 1/20 0.46
▸ GRM5 P41594 1/20 0.46
▸ GRM1 Q13255 1/20 0.46

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
SCHEMBL17455067 0.94 GPR119 (0.62) GPR119NAMPTPDK4HTR6GRM5
SCHEMBL1655856 0.84 GPR119 (0.71) GPR119
SCHEMBL22324996 0.83 NAMPT (0.55) GPR119NAMPTPDK4HTR6GRM5
SCHEMBL8193684 0.82 NAMPT (0.59) GPR119NAMPTPDK4TNK2BTK
SCHEMBL19434391 0.82 GPR119 (0.57) GPR119NAMPTPDK4TNK2HTR6
SCHEMBL29071744 0.82 NAMPT (0.57) GPR119NAMPTPDK4HTR6GRM5
SCHEMBL27141544 0.81 GPR119 (0.54) GPR119NAMPTPDK4HTR6GRM5
SCHEMBL22324776 0.81 HTR6 (0.55) GPR119NAMPTPDK4HTR6GRM5
SCHEMBL8912847 0.81 NAMPT (0.63) GPR119NAMPTPDK4TNK2HTR6
SCHEMBL1578063 0.80 GPR119 (0.64) 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-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 — — WO disclosed
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