SCHEMBL5744778

SCHEMBL5744778

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.40
MAPT P10636 2/20 0.40
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 3/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 1/20 0.34
HTR3A P46098 1/20 0.34

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
SCHEMBL5741855 0.87 L3MBTL1 (0.44) L3MBTL1ALDH1A1MAPTDRD2DRD4
SCHEMBL5743102 0.84 L3MBTL1 (0.41) L3MBTL1MAPTDRD2DRD4DRD3
SCHEMBL3544034 0.84 GPR119 (0.41) L3MBTL1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3546005 0.78 HDAC2 (0.43) L3MBTL1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5735133 0.78 APP (0.45) L3MBTL1ALDH1A1MAPTLMNAHRH2
SCHEMBL1741730 0.78 L3MBTL1 (0.53) L3MBTL1ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL3539818 0.77 GPR119 (0.40) L3MBTL1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3538548 0.76 ALDH1A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL3549234 0.75 GPR119 (0.44) L3MBTL1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3548088 0.75 MEN1 (0.43) MAPTDRD2DRD3HRH2OPRK1

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