SCHEMBL3343263

SCHEMBL3343263

CC(C)(C)N1CCC(c2ccc(COS(C)(=O)=O)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.37
GPR119 Q8TDV5 2/20 0.35
TP53 P04637 2/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
DAGLB Q8NCG7 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DRD2 P14416 2/20 0.33
KCNH2 Q12809 1/20 0.33
GRM5 P41594 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL4665092 0.84 CA2 (0.42) LSSCARM1PRMT6DAGLBKCNH2
SCHEMBL15093755 0.81 NAAA (0.40) CARM1PRMT6HRH3CA2CA9
SCHEMBL3342643 0.80 GPR119 (0.57) GPR119
SCHEMBL22458967 0.77 GPR119 (0.46) GPR119TP53DRD2
SCHEMBL3344962 0.75 GPR119 (0.41) GPR119DRD2KCNH2
SCHEMBL16936796 0.75 LSS (0.40) LSSDRD2KCNH2
SCHEMBL16879289 0.73 ESR2 (0.55)
SCHEMBL4952656 0.72 CA2 (0.58) CA2CA9
SCHEMBL18707815 0.71 SLC18A3 (0.50) TP53DRD2KCNH2
SCHEMBL15771678 0.71 CA2 (0.43) DAGLBCA2CA9

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