SCHEMBL6971037

SCHEMBL6971037

Cc1oc(-c2ccccc2)nc1COc1ccc(CCc2nnn[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.63
PPARG P37231 15/20 0.53
PPARA Q07869 13/20 0.53
KDR P35968 1/20 0.52
MAPT P10636 1/20 0.47
PPARD Q03181 4/20 0.46

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
SCHEMBL6958121 0.95 FFAR1 (0.62) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6964987 0.95 FFAR1 (0.62) FFAR1PPARGPPARAKDRMAPT
SCHEMBL8846257 0.94 FFAR1 (0.61) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6959020 0.91 PPARG (0.60) FFAR1PPARGPPARAPPARD
SCHEMBL6959550 0.86 PPARG (0.59) FFAR1PPARGPPARAPPARD
SCHEMBL6957652 0.85 FFAR1 (0.51) FFAR1PPARGPPARAKDRMAPT
SCHEMBL8845954 0.85 FFAR1 (0.50) FFAR1PPARGPPARAKDRMAPT
SCHEMBL8131858 0.84 KDR (0.48) FFAR1PPARGPPARAKDRMAPT
SCHEMBL13633890 0.83 PPARG (0.53) FFAR1PPARGPPARAKDRPPARD
SCHEMBL8131869 0.82 KDR (0.47) FFAR1PPARGPPARAKDRMAPT

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