SCHEMBL7040668

SCHEMBL7040668

CCCc1c(OCCCCNc2ccc(C(CC)c3nnn[nH]3)cc2)ccc2c1nnn2-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.37
PPARG P37231 1/20 0.31
NR1H2 P55055 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
NR1H3 Q13133 1/20 0.31
POLB P06746 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
SCHEMBL7040676 0.85 GRM2 (0.37) GRM2PPARGNR1H2PPARDPPARA
SCHEMBL6559345 0.79 GRM2 (0.40) GRM2PPARGNR1H2PPARDPPARA
SCHEMBL8668094 0.78 GRM2 (0.36) GRM2PPARGNR1H2PPARDPPARA
SCHEMBL7040442 0.69 PPARA (0.52) GRM2PPARGPPARDPPARA
SCHEMBL7039487 0.67 PPARD (0.42) PPARGNR1H2PPARDPPARANR1H3
SCHEMBL6560182 0.64 PPARA (0.48) GRM2PPARGPPARDPPARA
SCHEMBL7040758 0.64 PPARA (0.64) PPARGPPARDPPARA
SCHEMBL6559350 0.63 GRM2 (0.40) GRM2PPARGNR1H2PPARDPPARA
SCHEMBL7819515 0.62 HTR2A (0.39) POLB
SCHEMBL2363775 0.61 L3MBTL1 (0.50) POLB

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-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed
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