SCHEMBL5489160

SCHEMBL5489160

COC(=O)Cc1ccccc1N1CCCC(C(N)Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.39
PPARA Q07869 5/20 0.39
PPARD Q03181 4/20 0.39
PPARG P37231 2/20 0.39
CHRM4 P08173 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL3896903 0.87 NPC1 (0.44) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3896907 0.79 CHRM4 (0.53) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3905840 0.78 PPARA (0.45) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL3892370 0.77 PPARA (0.46) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3890824 0.76 PPARA (0.44) PPARAPPARDPPARGCHRM4GAA
SCHEMBL5191503 0.76 PPARA (0.52) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL5191506 0.76 PPARA (0.52) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL5193735 0.76 PPARA (0.52) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL5193737 0.76 PPARA (0.52) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3890827 0.74 PPARA (0.50) FFAR1PPARAPPARDPPARGCHRM4

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-1862464-A1 NOVEL CYCLIC AMINOPHENYLALKANOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-12-05 EP disclosed