SCHEMBL6959550

SCHEMBL6959550

Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCCc2nnn[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.59
PPARA Q07869 15/20 0.59
PPARD Q03181 8/20 0.56
FFAR1 O14842 1/20 0.53

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
SCHEMBL6959020 0.95 PPARG (0.60) PPARGPPARAPPARDFFAR1
SCHEMBL6958121 0.91 FFAR1 (0.62) PPARGPPARAPPARDFFAR1
SCHEMBL6964987 0.89 FFAR1 (0.62) PPARGPPARAPPARDFFAR1
SCHEMBL8846257 0.88 FFAR1 (0.61) PPARGPPARAPPARDFFAR1
SCHEMBL6971037 0.86 FFAR1 (0.63) PPARGPPARAPPARDFFAR1
SCHEMBL5915216 0.83 PPARG (0.68) PPARGPPARAPPARDFFAR1
SCHEMBL8845978 0.83 PPARG (0.61) PPARGPPARA
SCHEMBL6969645 0.82 PPARG (0.67) PPARGPPARAPPARDFFAR1
SCHEMBL6382155 0.82 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL6957652 0.82 FFAR1 (0.51) PPARGPPARAFFAR1

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-0629624-B1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 EP disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed