SCHEMBL7044166

SCHEMBL7044166

CCCc1cc2oc(-c3ccccc3)nc2cc1OCCCNC1(Cl)C=CC=C(CC(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.40
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
P2RY14 Q15391 3/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
KDR P35968 2/20 0.33
CEPT1 Q9Y6K0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
LTB4R Q15722 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
SCHEMBL6559384 0.87 PPARG (0.36) PPARGPPARDPPARAKDM4EALDH1A1
SCHEMBL6559972 0.81 LTB4R (0.34) PPARGPPARDPPARALTB4R
SCHEMBL7044586 0.77 PPARG (0.32) PPARGPPARDPPARALTB4R
SCHEMBL7046068 0.77 PPARG (0.49) CETPP2RY14PPARGPPARDPPARA
SCHEMBL7041401 0.75 HPSE (0.43) CETPP2RY14PPARGPPARDPPARA
SCHEMBL7044794 0.74 PPARA (0.40) PPARGPPARDPPARA
SCHEMBL8444660 0.69 LTB4R (0.37) PPARGPPARDPPARALTB4R
SCHEMBL6940262 0.65 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL6559176 0.62 PPARG (0.49) P2RY14PPARGPPARDPPARAKDM4E
SCHEMBL6938366 0.61 PPARG (0.50) PPARGPPARDPPARA

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