SCHEMBL6969645

SCHEMBL6969645

Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCCBr)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.67
PPARA Q07869 16/20 0.67
PPARD Q03181 7/20 0.63
FFAR1 O14842 1/20 0.60

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
SCHEMBL6955742 0.90 FFAR1 (0.71) PPARGPPARAPPARDFFAR1
SCHEMBL5915216 0.90 PPARG (0.68) PPARGPPARAPPARDFFAR1
SCHEMBL3279660 0.90 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL16144192 0.87 PPARG (0.71) PPARGPPARAPPARDFFAR1
SCHEMBL14382549 0.87 PPARG (0.71) PPARGPPARAPPARDFFAR1
SCHEMBL4032006 0.87 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL3279259 0.86 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL4026020 0.86 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL6958485 0.85 FFAR1 (0.68) PPARGPPARAPPARDFFAR1
SCHEMBL4389208 0.85 PPARG (0.79) PPARGPPARAPPARD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629624-B1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 EP disclosed
US-5591862-A ANTILIPEMICS, TREATING DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed