SCHEMBL7024874

SCHEMBL7024874

FC(F)(F)c1ccccc1COc1[c]cccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
MAOB P27338 4/20 0.49
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
TACR1 P25103 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
POLQ O75417 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
F2 P00734 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PTPN1 P18031 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
SCHEMBL3974783 0.84 MAOB (0.35) IDO1MAOBMAOAKDM4EALDH1A1
SCHEMBL1993371 0.82 IDO1 (0.34) IDO1MAOBMAOA
SCHEMBL7457264 0.80 IDO1 (0.45) IDO1MAOBMAOASLC6A4FFAR1
SCHEMBL28545909 0.78 ALOX5AP (0.38) SLC6A4SGMS2ALOX5APFEN1
SCHEMBL3326060 0.78 IDO1 (0.48) IDO1MAOBSLC6A4KDM4EALDH1A1
SCHEMBL745185 0.75 GPR3 (0.36) KDM4EALDH1A1
SCHEMBL5543553 0.75 MAOB (0.61) IDO1MAOBMAOASLC6A4FFAR1
SCHEMBL697657 0.75 FFAR1 (0.40) IDO1MAOBSLC6A4FFAR1FFAR4
SCHEMBL10839770 0.75 MAOB (0.44) MAOBFFAR1SGMS2ALDH1A1
SCHEMBL2721265 0.75 IDO1 (0.48) IDO1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343768-A1 ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS Bristol-Myers Squibb Pharma Company (US) 2003-09-17 EP claimed
WO-2002059082-A2 ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 WO claimed
EP-1343768-A1 ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS Bristol-Myers Squibb Pharma Company (US) 2003-09-17 EP disclosed
WO-2002059082-A2 ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 WO disclosed
EP-0745072-A1 4-AMINO DERIVATIVES OF 5-SUBSTITUTED MYCOPHENOLIC ACID SYNTEX (U.S.A.) INC. (US) 1996-12-04 EP disclosed