SCHEMBL13699229

SCHEMBL13699229

COc1ccc(-c2ncc(F)c(N(C)CCCOc3ccc4c(ccn4CC=O)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.48
PPARA Q07869 15/20 0.48
GRM2 Q14416 1/20 0.41
PPARG P37231 1/20 0.37
ESR1 P03372 1/20 0.35
MCL1 Q07820 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
SCHEMBL2010083 0.87 PPARG (0.53) PPARDPPARAPPARG
SCHEMBL12568430 0.86 PPARD (0.48) PPARDPPARAGRM2PPARGMCL1
SCHEMBL2005566 0.82 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL12568696 0.80 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL12568704 0.79 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL12568727 0.76 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL12568702 0.75 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL12568443 0.75 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL1998643 0.75 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL13698944 0.74 MCL1 (0.39) PPARDPPARAGRM2PPARGMCL1

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
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed