SCHEMBL5742487

SCHEMBL5742487

Cc1ccc(Sc2cccc(F)c2C2CCN(OC(=O)C(F)(F)F)CC2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.33
RBP4 P02753 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PDK2 Q15119 2/20 0.31
MAPK14 Q16539 3/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
MAPK7 Q13164 1/20 0.30
PKM P14618 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL5742628 0.82 MAPK14 (0.37) DRD4RBP4MAPK14MAPTLMNA
Trifluoroacetic Acid SCHEMBL5742485 0.80 SLC6A4 (0.39)
SCHEMBL5744423 0.80 KDM4E (0.44) RBP4MAPTKDM4ESMN1; SMN2
SCHEMBL3540439 0.78 DRD4 (0.38) DRD4RBP4MAPTLMNATP53
SCHEMBL5743114 0.78 ENPP2 (0.34) DRD4RBP4GPR119MAPK14KDM4E
SCHEMBL3540773 0.75 RBP4 (0.40) RBP4MAPTLMNADRD2
SCHEMBL3543078 0.75 HTR1A (0.45) MAPK14
SCHEMBL5742981 0.73 RBP4 (0.37) DRD4RBP4MAPTLMNATP53
SCHEMBL12883607 0.73 GPR119 (0.46) GPR119MAPTLMNATP53THRB
SCHEMBL3543682 0.71 NPSR1 (0.36) DRD4RBP4MAPK14MAPTKDM4E

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