SCHEMBL5740602

SCHEMBL5740602

CCCCOC(=O)N1CCC(O)(c2ccccc2Sc2ccc(OC)cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR3A P46098 1/20 0.42
APP P05067 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
RAB9A P51151 1/20 0.36
CHRM4 P08173 1/20 0.35
MTNR1B P49286 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35

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
SCHEMBL3540730 0.85 HTR1A (0.47) HTR1AHTR3AITGB2ICAM1ITGAL
SCHEMBL5735133 0.82 APP (0.45) APPL3MBTL1OPRD1OPRK1PSEN1
SCHEMBL4699736 0.75 HTR1A (0.57) HTR1AHTR3AITGB2ICAM1ITGAL
SCHEMBL3539669 0.75 HTR1A (0.39) HTR1AHTR3APSEN1PSEN2APH1B
SCHEMBL5741855 0.75 L3MBTL1 (0.44) HTR1AHTR3AAPPL3MBTL1OPRD1
SCHEMBL3544412 0.74 MEN1 (0.42) HTR1AHTR3AITGB2ICAM1ITGAL
SCHEMBL5743102 0.72 L3MBTL1 (0.41) HTR1AAPPL3MBTL1OPRD1OPRK1
SCHEMBL3542345 0.71 ALDH1A1 (0.45) HTR1AHTR3AAPPALDH1A1LMNA
SCHEMBL5744778 0.71 L3MBTL1 (0.44) HTR1AHTR3AL3MBTL1OPRD1OPRK1
SCHEMBL6608659 0.71 SCN5A (0.52) HTR1AAPPL3MBTL1OPRD1OPRK1

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