SCHEMBL5742408

SCHEMBL5742408

O=C(ON1CCC(c2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPV1 Q8NER1 1/20 0.42
HTR1A P08908 1/20 0.41
HTR3A P46098 1/20 0.41
RBP4 P02753 10/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
MGLL Q99685 1/20 0.37
TEAD1 P28347 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL5744423 0.84 KDM4E (0.44) KDM4EALDH1A1MAPTSMN1; SMN2TRPV1
SCHEMBL3548483 0.83 ALDH1A1 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2TRPV1
SCHEMBL3537491 0.82 TRPV1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2TRPV1
SCHEMBL3544303 0.79 RBP4 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2RBP4
SCHEMBL3544759 0.78 RBP4 (0.41) ALDH1A1MAPTHTR1AHTR3ARBP4
Trifluoroacetic Acid SCHEMBL5742404 0.77 HTR1A (0.48) KDM4EALDH1A1MAPTSMN1; SMN2HTR1A
SCHEMBL3548158 0.77 MEN1 (0.42) KDM4EALDH1A1SMN1; SMN2HTR1AHTR3A
SCHEMBL3540773 0.77 RBP4 (0.40) MAPTRBP4MEN1KMT2A
SCHEMBL3546222 0.76 RBP4 (0.40) ALDH1A1MAPTTRPV1RBP4MEN1
SCHEMBL3543682 0.75 NPSR1 (0.36) KDM4EALDH1A1MAPTSMN1; SMN2HTR1A

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