SCHEMBL5199608

SCHEMBL5199608

CC(C)COC(=O)N1CCC(N2CCc3cc(S(=O)(=O)c4ccccc4)cc(F)c32)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.49
CHRM2 P08172 4/20 0.45
CHRM1 P11229 3/20 0.45
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
BRD4 O60885 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
SCHEMBL5199217 0.90 CHRM2 (0.45) GPR119CHRM2CHRM1HTR6KDM4E
SCHEMBL5223968 0.85 CHRM2 (0.49) GPR119CHRM2CHRM1KDM4EALDH1A1
SCHEMBL4892121 0.85 GPR119 (0.53) GPR119
SCHEMBL27703343 0.84 HTR6 (0.42) GPR119HTR6LMNA
SCHEMBL5310120 0.81 GPR119 (0.44) GPR119CHRM2CHRM1ALDH1A1PTGDR2
SCHEMBL5199029 0.81 NPSR1 (0.42) GPR119CHRM2CHRM1KDM4EALDH1A1
SCHEMBL5228645 0.80 CHRM2 (0.48) GPR119CHRM2CHRM1LMNAHTT
SCHEMBL5198989 0.80 CHRM2 (0.46) GPR119CHRM2CHRM1LMNAHTT
SCHEMBL5196493 0.79 GPR119 (0.45) GPR119CHRM2CHRM1ALDH1A1LMNA
SCHEMBL4898957 0.76 HTR2C (0.45) HTR6

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-1814873-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2007-08-08 EP disclosed
WO-2006038006-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-04-13 WO disclosed