SCHEMBL3344962

SCHEMBL3344962

CC(C)(C)N1CCC(c2ccc(COc3ccc(S(C)(=O)=O)cc3F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.41
SLC6A9 P48067 3/20 0.38
DRD2 P14416 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
PTGER1 P34995 1/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL3342677 0.85 GPR119 (0.61) GPR119
SCHEMBL3348799 0.83 SLC6A4 (0.50) GPR119SLC6A9PTGER1
Hydrochloric Acid SCHEMBL3346815 0.82 SLC6A4 (0.49) GPR119SLC6A9PTGER1
SCHEMBL3342692 0.81 GPR119 (0.59) GPR119CYP3A4KCNH2
SCHEMBL22458967 0.77 GPR119 (0.46) GPR119DRD2SIGMAR1
SCHEMBL3343263 0.75 LSS (0.37) GPR119DRD2KCNH2
SCHEMBL1577770 0.72 GPR119 (0.42) GPR119SLC6A9KCNH2
SCHEMBL22458966 0.70 DRD2 (0.64) GPR119DRD2SIGMAR1
SCHEMBL16590855 0.69 ESR2 (0.42) S1PR5
SCHEMBL3347296 0.67 GPR119 (0.55) GPR119CYP3A4

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