SCHEMBL7470952

SCHEMBL7470952

FC(F)(F)c1ccccc1COc1[c]cccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
MAOB P27338 4/20 0.44
MAOA P21397 1/20 0.41
TACR1 P25103 3/20 0.39
FFAR4 Q5NUL3 3/20 0.37
FFAR1 O14842 2/20 0.37
AR P10275 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX5AP P20292 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL7461166 0.82 IDO1 (0.41) IDO1MAOBFFAR4FFAR1KDM4E
SCHEMBL7466725 0.78 RXRA (0.44) IDO1MAOBMAOATACR1FFAR4
SCHEMBL7463218 0.77 ABCB1 (0.47) IDO1KDM4EALDH1A1
SCHEMBL7458394 0.77 PARP10 (0.43) FFAR1ALDH1A1
SCHEMBL7466776 0.76 GSTP1 (0.42) MAOBMAOAALOX5KDM4E
SCHEMBL7466685 0.75 MAOB (0.47) IDO1MAOBTACR1FFAR4FFAR1
SCHEMBL7821243 0.75 DRD1 (0.38) ALDH1A1
SCHEMBL3324331 0.74 RXRA (0.44) IDO1MAOBMAOAARKDM4E
SCHEMBL7024874 0.74 IDO1 (0.53) IDO1MAOBMAOATACR1FFAR4
SCHEMBL7455789 0.73 RXRA (0.43) MAOBFFAR4FFAR1ALDH1A1

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-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP claimed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO claimed