SCHEMBL633016

SCHEMBL633016

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

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL634037 0.98 FFAR1 (0.42) FFAR1AKR1B1
SCHEMBL633190 0.93
SCHEMBL504036 0.93 ACHE (0.40)
SCHEMBL504697 0.92 APLNR (0.39)
SCHEMBL504305 0.92 ACHE (0.40)
SCHEMBL633149 0.92 APLNR (0.36)
SCHEMBL634031 0.92 APLNR (0.36)
SCHEMBL634050 0.91 APLNR (0.37)
SCHEMBL632772 0.91 APLNR (0.38)
SCHEMBL504836 0.90 ACHE (0.38)

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