SCHEMBL6408328

SCHEMBL6408328

CCCc1c(OCCCN2C(=O)CNC2=O)ccc2c(CC(C)(C)C)onc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.46
NR1H3 Q13133 9/20 0.46
GRM2 Q14416 1/20 0.38
PPARA Q07869 8/20 0.35
PPARD Q03181 7/20 0.34
PPARG P37231 5/20 0.34

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
SCHEMBL6404754 0.89 NR1H2 (0.48) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6405846 0.85 NR1H2 (0.64) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6405155 0.85 NR1H2 (0.52) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6098942 0.84 GRM2 (0.55) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6407458 0.81 NR1H2 (0.41) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6405513 0.81 NR1H2 (0.44) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6411684 0.80 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL6100417 0.78 NR1H2 (0.73) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6405323 0.73 NR1H2 (0.55) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL5576769 0.72 NR1H2 (0.56) NR1H2NR1H3GRM2PPARAPPARD

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
EP-1534696-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004011448-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2004-02-05 WO disclosed