SCHEMBL4757792

SCHEMBL4757792

Fc1ccc(F)c(Sc2ccccc2C2=CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.45
HTR2C P28335 8/20 0.44
SIGMAR1 Q99720 1/20 0.42
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR1A P08908 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4698104 0.90 HTR6 (0.45) HTR6HTR2CSIGMAR1HTR2AHTR7
SCHEMBL4702041 0.88 HTR2C (0.50) HTR6HTR2CSIGMAR1KDM4EALDH1A1
SCHEMBL4702065 0.88 HTR6 (0.43) HTR6HTR2CSIGMAR1HTR2AHTR7
SCHEMBL4700190 0.85 HTR6 (0.46) HTR6HTR2CSIGMAR1HTR2AHTR7
SCHEMBL4699429 0.85 HTR6 (0.44) HTR6HTR2CSIGMAR1HTR2AHTR7
SCHEMBL4702831 0.83 HTR1A (0.49) HTR6HTR2CSIGMAR1HTR2AHTR7
SCHEMBL4698811 0.82 HTR2C (0.47) HTR6HTR2CSIGMAR1HTR2AHTR7
SCHEMBL4700935 0.82 HTR2C (0.48) HTR6HTR2CSIGMAR1HTR2AHTR7
SCHEMBL4698501 0.82 HTR2C (0.44) HTR6HTR2CSIGMAR1HTR2AHTR7
SCHEMBL4698458 0.82 HTR2C (0.46) HTR6HTR2CSIGMAR1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613594-B1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-03-26 EP claimed