SCHEMBL7818403

SCHEMBL7818403

CCCCc1nc(=O)c(CCC(=O)OCC)c(C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
PPARG P37231 5/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL7811966 0.93 PPARG (0.57) AGTR1AGTR2PPARGKCNH2
SCHEMBL7811918 0.91 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL7822293 0.90 PPARG (0.59) PPARGKCNH2
SCHEMBL7811590 0.90 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL7818527 0.89 PPARG (0.55) AGTR1AGTR2PPARGKCNH2
SCHEMBL7820066 0.89 PPARG (0.55) AGTR1AGTR2PPARGKCNH2
SCHEMBL7818935 0.87 PPARG (0.54) AGTR1AGTR2PPARG
SCHEMBL7819420 0.87 PPARG (0.59) PPARGKCNH2
SCHEMBL7819781 0.86 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL7818874 0.85 PPARG (0.53) AGTR1PPARG

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-0781276-A1 PYRIMIDINONE DERIVATIVES BORYUNG PHARMACEUTICAL CO., LTD. (KR) 1997-07-02 EP claimed
WO-1996008476-A1 PYRIMIDINONE DERIVATIVES BORYUNG PHARMACEUTICAL CO., LTD. (KR) 1996-03-21 WO claimed
EP-0781276-B1 PYRIMIDINONE DERIVATIVES BORYUNG PHARM (KR) 2001-12-12 EP disclosed