SCHEMBL633703

SCHEMBL633703

CCCCc1nc(C)n(-c2ncc(OCc3nc(-c4ccccc4)oc3C)cn2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 3/20 0.40
KDR P35968 1/20 0.38
PPARD Q03181 2/20 0.37

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
SCHEMBL504796 0.95 FFAR1 (0.35) FFAR1PPARGPPARA
SCHEMBL504050 0.94 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL503726 0.92 PPARG (0.35) PPARG
SCHEMBL504368 0.91 AGTR1 (0.34)
SCHEMBL503954 0.89 FFAR1 (0.43) FFAR1
SCHEMBL504049 0.88 APLNR (0.34) PPARGPPARA
SCHEMBL504366 0.87 ACHE (0.40)
SCHEMBL504036 0.87 ACHE (0.40)
SCHEMBL504305 0.86 ACHE (0.40)
SCHEMBL504759 0.86 APLNR (0.42)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664226-B2 Compound having 3-heteroarylpyrimidin-4-(3H)-one structure and pharmaceutical preparation containing same KOWA COMPANY, LTD. (JP) 2014-03-04 US disclosed
EP-2420501-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME Kowa Company, Ltd. (JP) 2012-02-22 EP disclosed