SCHEMBL6559345

SCHEMBL6559345

CCCc1c(OCCCCNc2ccc(C(CC)c3nnn[nH]3)cc2)ccc2c(-c3ccccc3)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.40
PPARA Q07869 14/20 0.36
PPARG P37231 13/20 0.36
PPARD Q03181 13/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
CDC7 O00311 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
CHUK O15111 1/20 0.30
PDPK1 O15530 1/20 0.30
DYRK3 O43781 1/20 0.30
ROCK2 O75116 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30

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
SCHEMBL6559350 0.85 GRM2 (0.40) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL8668094 0.82 GRM2 (0.36) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL7040668 0.79 GRM2 (0.37) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL6559339 0.78 PPARG (0.50) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL6560182 0.74 PPARA (0.48) GRM2PPARAPPARGPPARD
SCHEMBL7040758 0.70 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL6559361 0.69 PPARG (0.51) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6560646 0.68 PPARG (0.61) PPARAPPARGPPARDLTB4RLTB4R2
SCHEMBL7044493 0.66 PPARG (0.56) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL6559377 0.65 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