SCHEMBL6221995

SCHEMBL6221995

OCCc1sc(-c2ccc(C(F)(F)F)cc2)nc1COc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.48
PPARA Q07869 10/20 0.48
PPARG P37231 7/20 0.48
FFAR1 O14842 8/20 0.46
CHRM5 P08912 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL4470189 0.91 PPARD (0.48) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL4477011 0.86 PPARD (0.47) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL4477087 0.79 PPARD (0.53) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL4463450 0.79 PPARD (0.44) PPARDPPARAPPARGFFAR1
SCHEMBL6220268 0.78 PPARD (0.39) PPARDPPARAPPARGFFAR1
SCHEMBL6103483 0.78 PPARD (0.61) PPARDPPARAPPARGFFAR1
SCHEMBL5516718 0.77 PPARD (0.79) PPARDPPARAPPARGFFAR1
SCHEMBL3540426 0.76 MAPT (0.43) PPARDPPARAPPARGFFAR1
SCHEMBL6220491 0.76 PPARD (0.46) PPARDPPARAPPARGFFAR1
SCHEMBL4469584 0.76 MAPT (0.44) PPARDPPARAPPARGFFAR1

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-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed