SCHEMBL5196493

SCHEMBL5196493

CC(C)COC(=O)N1CCC(N2CCc3cc(S(=O)(=O)c4ccccc4F)ccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.45
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL5304121 0.91 GPR119 (0.46) GPR119CHRM2CHRM1MAPTKMT2A
SCHEMBL5223968 0.89 CHRM2 (0.49) GPR119CHRM2CHRM1MAPTKMT2A
SCHEMBL5228645 0.88 CHRM2 (0.48) GPR119CHRM2CHRM1MAPTKMT2A
SCHEMBL5198989 0.87 CHRM2 (0.46) GPR119CHRM2CHRM1MAPTKMT2A
SCHEMBL4894091 0.86 GPR119 (0.49) GPR119
SCHEMBL5198338 0.83 CHRM2 (0.51) GPR119CHRM2CHRM1MAPTKMT2A
SCHEMBL13989739 0.82 HTR2C (0.45) KMT2AALDH1A1HTR2CHTR2B
SCHEMBL13989746 0.81 HTR2C (0.48) KMT2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL4900657 0.81 HTR2C (0.44) KMT2AALDH1A1HTR2CHTR2B
SCHEMBL13989769 0.81 HTR2C (0.46) KMT2ASMN1; SMN2HTTALDH1A1TSHR

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