SCHEMBL14201366

SCHEMBL14201366

CCCCc1cccc(-c2ccc(OC(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.49
DRD1 P21728 2/20 0.43
PPARA Q07869 4/20 0.42
PPARG P37231 4/20 0.42
LMNA P02545 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PTPN1 P18031 2/20 0.39
DAGLA Q9Y4D2 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
SCHEMBL8178548 0.96 BACE1 (0.50) BACE1DRD1PPARAPPARG
SCHEMBL8367031 0.91 BACE1 (0.47) BACE1DRD1PPARAPPARGMRGPRX4
SCHEMBL8411825 0.86 DRD1 (0.43) BACE1DRD1PPARAPPARGMRGPRX4
SCHEMBL3164761 0.86 BACE1 (0.42) BACE1DRD1
SCHEMBL3152374 0.86 BACE1 (0.42) BACE1DRD1
SCHEMBL27740487 0.85 BACE1 (0.51) BACE1PPARAPPARGLMNAMRGPRX4
SCHEMBL9061224 0.85 RARB (0.47) BACE1DRD1PPARA
SCHEMBL8365618 0.84 DRD1 (0.43) BACE1DRD1PPARAPPARGMRGPRX4
SCHEMBL8367054 0.83 BACE1 (0.50) BACE1DRD1PPARAPPARGMRGPRX4
SCHEMBL8194931 0.83 BACE1 (0.50) BACE1DRD1PPARAPPARGMRGPRX4

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
WO-2007038271-A9 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH CORP (US) 2008-05-08 WO disclosed
WO-2007038271-A1 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH (US) 2007-04-05 WO disclosed