SCHEMBL6559286

SCHEMBL6559286

CCCc1c(OCCCCSn2nnnc2Cc2cccc(Cl)c2)ccc2c1ccn2-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SSTR1 P30872 2/20 0.32
SSTR4 P31391 2/20 0.32
SSTR3 P32745 2/20 0.32
SSTR2 P30874 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARD Q03181 3/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL6559281 0.73 PPARG (0.43) GRM2PPARDPPARGPPARA
SCHEMBL6559343 0.73 PPARA (0.48) PPARDPPARGPPARA
SCHEMBL7046579 0.72 PPARA (0.57) PPARDPPARGPPARA
SCHEMBL6559278 0.71 PPARG (0.43) GRM2CYP1A2CYP2C9PPARDPPARG
SCHEMBL6935701 0.71 PPARG (0.44) PPARDPPARGPPARA
SCHEMBL6559843 0.69 PPARD (0.60) PPARDPPARGPPARA
SCHEMBL6559854 0.66 GRM2 (0.38) GRM2PPARDPPARGPPARA
SCHEMBL6561529 0.63 PPARD (0.62) PPARDPPARGPPARA
SCHEMBL1994588 0.59 GRM2 (0.57) GRM2PPARDPPARGPPARA
SCHEMBL6561696 0.54 GRM2 (0.48) GRM2PPARDPPARGPPARA

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 6 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-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed