SCHEMBL6559350

SCHEMBL6559350

CCCc1c(OCCCCNc2ccc(CCCc3nnn[nH]3)cc2)ccc2c(-c3ccccc3)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
PPARA Q07869 17/20 0.39
PPARG P37231 16/20 0.39
PPARD Q03181 16/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL6559345 0.85 GRM2 (0.40) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL6559339 0.82 PPARG (0.50) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL7040676 0.79 GRM2 (0.37) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL6559361 0.76 PPARG (0.51) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6560185 0.74 PPARA (0.51) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL7044493 0.71 PPARG (0.56) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL6560646 0.68 PPARG (0.61) PPARAPPARGPPARDLTB4RLTB4R2
SCHEMBL7038241 0.67 PPARD (0.61) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7044491 0.67 PPARG (0.51) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL6559377 0.67 PPARG (0.65) PPARAPPARGPPARDLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP claimed
EP-0904079-A4 1999-05-06 EP claimed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP claimed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed