SCHEMBL6964562

SCHEMBL6964562

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.53
PPARA Q07869 9/20 0.53
FFAR1 O14842 1/20 0.53
KDR P35968 1/20 0.49
MAPT P10636 4/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL6959746 0.84 FFAR1 (0.67) PPARGPPARAFFAR1KDRMAPT
SCHEMBL14281856 0.80 PPARG (0.61) PPARGPPARAFFAR1KDRMAPT
SCHEMBL14302921 0.80 PPARG (0.61) PPARGPPARAFFAR1KDRMAPT
SCHEMBL14307032 0.78 PPARG (0.59) PPARGPPARAFFAR1KDRMAPT
SCHEMBL19392906 0.77 FFAR1 (0.68) PPARGPPARAFFAR1KDRMAPT
SCHEMBL8123842 0.77 KDR (0.52) PPARGPPARAFFAR1KDRMAPT
SCHEMBL9260070 0.77 ALOX5 (0.61) PPARGPPARAFFAR1KDRMAPT
SCHEMBL8134271 0.77 KDR (0.51) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4030957 0.76 FFAR1 (0.70) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4032011 0.76 FFAR1 (0.70) PPARGPPARAFFAR1KDRMAPT

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