SCHEMBL7038239

SCHEMBL7038239

CCCc1c(OCCCNc2ccc(CC(=O)O)cc2)ccc2c(-c3ccccc3)[nH]nc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.60
PPARA Q07869 14/20 0.60
PPARG P37231 14/20 0.60
NR1H3 Q13133 8/20 0.60
NR1H2 P55055 6/20 0.60
GRM2 Q14416 1/20 0.42

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
SCHEMBL7044491 0.90 PPARG (0.51) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7041790 0.88 PPARA (0.64) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7040316 0.86 PPARA (0.51) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7038241 0.85 PPARD (0.61) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7046584 0.82 PPARG (0.62) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7040885 0.82 PPARG (0.65) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7043010 0.81 PPARG (0.51) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7044058 0.81 PPARA (0.38) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7041507 0.79 PPARG (0.78) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7041506 0.79 PPARA (0.64) PPARDPPARAPPARG

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 7 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-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP claimed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO 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
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed