SCHEMBL19789825

SCHEMBL19789825

CNc1cccc(Cc2cc(F)ccc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
PARP1 P09874 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
APP P05067 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10094690 0.80 BCL2 (0.44) HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL22924836 0.76 HTR2A (0.45) TAAR1HTR2ASLC6A4KCNH2
SCHEMBL30644971 0.76 MAOA (0.46) TAAR1SCN8AALDH1A1HPGD
SCHEMBL20547052 0.76 MAOA (0.46) TAAR1SCN8AALDH1A1HPGD
SCHEMBL18905641 0.75 TSHR (0.48) TAAR1RAPGEF4APPKDM4E
SCHEMBL16191018 0.73 TAAR1 (0.50) TAAR1SCN8AALDH1A1
SCHEMBL306546 0.71
SCHEMBL29909163 0.71
SCHEMBL20546855 0.71 RECQL (0.47) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL24146817 0.71 MAPT (0.48) TAAR1RAPGEF4

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-2282991-B1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2018-01-24 EP disclosed