SCHEMBL6168914

SCHEMBL6168914

CCCc1c(OCCCN)ccc2c(C(F)(F)F)onc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 17/20 0.45
NR1H2 P55055 15/20 0.45
PPARA Q07869 8/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 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
SCHEMBL5576817 0.86 NR1H3 (0.48) NR1H3NR1H2PPARAPPARGPPARD
SCHEMBL6165165 0.85 NR1H3 (0.52) NR1H3NR1H2PPARAPPARGPPARD
SCHEMBL6405323 0.82 NR1H2 (0.55) NR1H3NR1H2PPARAPPARGPPARD
SCHEMBL6167330 0.82 NR1H3 (0.50) NR1H3NR1H2PPARAPPARGPPARD
SCHEMBL6405584 0.81 NR1H2 (0.54) NR1H3NR1H2PPARAPPARGPPARD
SCHEMBL6406343 0.81 NR1H2 (0.54) NR1H3NR1H2PPARAPPARGPPARD
SCHEMBL6168918 0.80 NR1H3 (0.68) NR1H3NR1H2PPARAPPARGPPARD
SCHEMBL6405155 0.79 NR1H2 (0.52) NR1H3NR1H2PPARAPPARGPPARD
SCHEMBL6404776 0.79 NR1H2 (0.46) NR1H3NR1H2PPARAPPARGPPARD
SCHEMBL6406097 0.78 NR1H2 (0.47) NR1H3NR1H2PPARAPPARGPPARD

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-1458694-A4 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO INC (US) 2005-12-14 EP disclosed
EP-1458694-A2 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS Merck & Co., Inc. (US) 2004-09-22 EP disclosed
WO-2003053352-A2 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2003-07-03 WO disclosed