SCHEMBL6972841

SCHEMBL6972841

Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCCCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
KDR P35968 1/20 0.52
PPARG P37231 7/20 0.48
PPARA Q07869 7/20 0.48
MAPT P10636 7/20 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
SCHEMBL6962848 0.89 FFAR1 (0.71) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6965302 0.87 FFAR1 (0.52) FFAR1KDRPPARGPPARAMAPT
SCHEMBL4029049 0.87 KDR (0.64) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6970759 0.85 FFAR1 (0.61) FFAR1PPARGPPARAMAPT
SCHEMBL6156850 0.85 FFAR1 (0.74) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6963887 0.85 FFAR1 (0.54) FFAR1KDRPPARGPPARAMAPT
SCHEMBL8845954 0.85 FFAR1 (0.50) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6964371 0.85 FFAR1 (0.52) FFAR1KDRPPARGPPARAMAPT
SCHEMBL7162113 0.84 FFAR1 (0.54) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6957652 0.82 FFAR1 (0.51) FFAR1KDRPPARGPPARAMAPT

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