SCHEMBL5741855

SCHEMBL5741855

CCCCOC(=O)N1CCC(O)(c2cc(C)ccc2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 4/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
APP P05067 3/20 0.39
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HTR1A P08908 1/20 0.37
HTR3A P46098 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CYP1A2 P05177 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
SCHEMBL5735133 0.88 APP (0.45) L3MBTL1MAPTSMN1; SMN2ALDH1A1HRH2
SCHEMBL5744778 0.87 L3MBTL1 (0.44) L3MBTL1MAPTSMN1; SMN2ALDH1A1HRH2
SCHEMBL5743102 0.84 L3MBTL1 (0.41) L3MBTL1MAPTSMN1; SMN2HRH2HRH1
SCHEMBL3549538 0.84 MEN1 (0.44) L3MBTL1MAPTALDH1A1HTR1AHTR3A
SCHEMBL16244844 0.78 CCR1 (0.49) SMN1; SMN2HRH1APPHTR1AOPRD1
SCHEMBL3549234 0.77 GPR119 (0.44) L3MBTL1MAPTSMN1; SMN2ALDH1A1HTR1A
SCHEMBL1741730 0.76 L3MBTL1 (0.53) L3MBTL1MAPTSMN1; SMN2ALDH1A1APP
SCHEMBL3547010 0.75 HTR1A (0.46) L3MBTL1MAPTSMN1; SMN2ALDH1A1HTR1A
SCHEMBL5740602 0.75 HTR1A (0.42) L3MBTL1SMN1; SMN2ALDH1A1APPPSEN1
SCHEMBL7478597 0.74 MEN1 (0.48) SMN1; SMN2ALDH1A1HRH1APPHTR1A

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-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 WO disclosed