SCHEMBL5228645

SCHEMBL5228645

CC(C)COC(=O)N1CCC(N2CCc3cc(S(=O)(=O)c4ccc(F)cc4)ccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.48
CHRM1 P11229 1/20 0.48
GPR119 Q8TDV5 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TSHR P16473 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL5198989 0.94 CHRM2 (0.46) CHRM2CHRM1GPR119SMN1; SMN2LMNA
SCHEMBL5223968 0.92 CHRM2 (0.49) CHRM2CHRM1GPR119SMN1; SMN2LMNA
SCHEMBL5304121 0.91 GPR119 (0.46) CHRM2CHRM1GPR119SMN1; SMN2LMNA
SCHEMBL5196493 0.88 GPR119 (0.45) CHRM2CHRM1GPR119SMN1; SMN2LMNA
SCHEMBL5198338 0.86 CHRM2 (0.51) CHRM2CHRM1GPR119SMN1; SMN2LMNA
SCHEMBL4899075 0.84 GPR119 (0.51) GPR119
SCHEMBL27684452 0.82 HTR1A (0.42) SMN1; SMN2KMT2A
SCHEMBL5197000 0.81 DPP4 (0.43) CHRM2CHRM1GPR119SMN1; SMN2LMNA
SCHEMBL5197149 0.81 GPR119 (0.41) CHRM2CHRM1GPR119SMN1; SMN2LMNA
SCHEMBL5199608 0.80 GPR119 (0.49) CHRM2CHRM1GPR119SMN1; 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