SCHEMBL5742628

SCHEMBL5742628

Cc1ccc(Sc2ccc(F)cc2F)c(C2CCN(OC(=O)C(F)(F)F)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
RBP4 P02753 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD4 P21917 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL3540979 0.87 MAPK14 (0.35) MAPK14RBP4SMN1; SMN2
SCHEMBL3547829 0.84 MAPK14 (0.35) MAPK14RBP4SMN1; SMN2
SCHEMBL5743114 0.83 ENPP2 (0.34) MAPK14RBP4SMN1; SMN2PTGDR2DRD4
SCHEMBL3538233 0.83 DRD4 (0.35) MAPK14LMNATP53MAPTTHRB
SCHEMBL3544775 0.82 HTR1A (0.40) LMNAMAPTRBP4PTGDR2ALDH1A1
SCHEMBL5742487 0.82 DRD4 (0.33) MAPK14LMNATP53MAPTTHRB
SCHEMBL5742412 0.81 HTR1A (0.38) LMNATP53RBP4
SCHEMBL3543682 0.81 NPSR1 (0.36) MAPK14MAPTRBP4SMN1; SMN2PTGDR2
SCHEMBL3546483 0.81 LMNA (0.36) MAPK14LMNATP53MAPTTHRB
SCHEMBL3544303 0.81 RBP4 (0.41) MAPK14MAPTRBP4SMN1; SMN2PTGDR2

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