SCHEMBL6965619

SCHEMBL6965619

Cc1oc(-c2ccccc2)nc1COc1ccc(CCCc2nnn[nH]2)cn1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.49
PPARA Q07869 18/20 0.49
FFAR1 O14842 1/20 0.47

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
SCHEMBL6959844 0.98 PPARG (0.49) PPARGPPARAFFAR1
SCHEMBL6958121 0.87 FFAR1 (0.62) PPARGPPARAFFAR1
SCHEMBL8845978 0.87 PPARG (0.61) PPARGPPARA
SCHEMBL6964987 0.85 FFAR1 (0.62) PPARGPPARAFFAR1
SCHEMBL8846257 0.85 FFAR1 (0.61) PPARGPPARAFFAR1
SCHEMBL6971544 0.83 PPARG (0.58) PPARGPPARAFFAR1
SCHEMBL6971037 0.82 FFAR1 (0.63) PPARGPPARAFFAR1
SCHEMBL6959550 0.81 PPARG (0.59) PPARGPPARAFFAR1
SCHEMBL6957438 0.81 PPARG (0.55) PPARGPPARAFFAR1
SCHEMBL6970901 0.80 PPARG (0.54) 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 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