SCHEMBL5199217

SCHEMBL5199217

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
GPR119 Q8TDV5 5/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR6 P50406 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
CYP3A4 P08684 1/20 0.37
APP P05067 1/20 0.37
HRH1 P35367 1/20 0.37
SLC6A15 Q9H2J7 1/20 0.37

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
SCHEMBL5199608 0.90 GPR119 (0.49) CHRM2CHRM1GPR119KDM4EALDH1A1
SCHEMBL4894455 0.85 GPR119 (0.53) GPR119
SCHEMBL5223968 0.85 CHRM2 (0.49) CHRM2CHRM1GPR119KDM4EALDH1A1
SCHEMBL27684448 0.84 HTR6 (0.40) CHRM2CHRM1GPR119KDM4EHTR6
SCHEMBL13989715 0.81 HTR6 (0.45) CHRM2CHRM1HTR6LMNAHTT
Hydrochloric Acid SCHEMBL4901628 0.80 HTR6 (0.44) CHRM2CHRM1HTR6LMNAHTT
SCHEMBL5228645 0.77 CHRM2 (0.48) CHRM2CHRM1GPR119SMN1; SMN2LMNA
SCHEMBL5198989 0.76 CHRM2 (0.46) CHRM2CHRM1GPR119SMN1; SMN2LMNA
SCHEMBL4892781 0.76 HTR2C (0.47) HTR6CYP3A4
SCHEMBL5198338 0.76 CHRM2 (0.51) CHRM2CHRM1GPR119SMN1; SMN2HTR6

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