SCHEMBL6959746

SCHEMBL6959746

Cc1oc(-c2ccccc2)nc1COc1ccc(CCCC#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.67
PPARG P37231 17/20 0.58
PPARA Q07869 13/20 0.58
KDR P35968 1/20 0.54
PPARD Q03181 4/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL6963887 0.90 FFAR1 (0.54) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6957438 0.86 PPARG (0.55) FFAR1PPARGPPARAKDR
SCHEMBL6965302 0.86 FFAR1 (0.52) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6955742 0.85 FFAR1 (0.71) FFAR1PPARGPPARAKDRPPARD
SCHEMBL6156850 0.85 FFAR1 (0.74) FFAR1PPARGPPARAKDRPPARD
SCHEMBL6964562 0.84 PPARG (0.53) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6960613 0.84 FFAR1 (0.48) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4845628 0.84 FFAR1 (0.63) FFAR1PPARGPPARAKDRPPARD
SCHEMBL8123842 0.84 KDR (0.52) FFAR1PPARGPPARAKDRPPARD
SCHEMBL6967639 0.84 FFAR1 (0.48) FFAR1PPARGPPARAKDRPPARD

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