SCHEMBL5197149

SCHEMBL5197149

CC(C)COC(=O)N1CCC(N2CCc3cc(I)ccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HRH1 P35367 1/20 0.38
SLC6A15 Q9H2J7 1/20 0.38
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 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
SCHEMBL5197000 0.87 DPP4 (0.43) GPR119CHRM2CHRM1SMN1; SMN2LMNA
SCHEMBL3941601 0.84 OPRM1 (0.51) L3MBTL1PRMT5WDR77
SCHEMBL5223968 0.81 CHRM2 (0.49) GPR119CHRM2CHRM1SMN1; SMN2LMNA
SCHEMBL4898763 0.81 GPR119 (0.46) GPR119MAPTKDM4E
SCHEMBL5310120 0.81 GPR119 (0.44) GPR119CHRM2CHRM1HRH1SLC6A15
SCHEMBL5228645 0.81 CHRM2 (0.48) GPR119CHRM2CHRM1SMN1; SMN2LMNA
SCHEMBL5198989 0.80 CHRM2 (0.46) GPR119CHRM2CHRM1SMN1; SMN2LMNA
SCHEMBL3940080 0.78 OPRM1 (0.46) PRMT5WDR77
SCHEMBL4891099 0.78 HCAR1 (0.44) GPR119
SCHEMBL5198338 0.78 CHRM2 (0.51) GPR119CHRM2CHRM1SMN1; SMN2LMNA

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