SCHEMBL10184595

SCHEMBL10184595

COC(=O)CN(C(=O)OC)[C@@H](C)c1ccc(OCc2noc(-c3ccccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.54
PPARG P37231 15/20 0.54
PPARD Q03181 11/20 0.54
FFAR1 O14842 1/20 0.52
SMPD1 P17405 2/20 0.47
S1PR1 P21453 1/20 0.45

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
SCHEMBL10185914 0.94 FFAR1 (0.56) PPARAPPARGPPARDFFAR1SMPD1
SCHEMBL13899531 0.92 PPARG (0.50) PPARAPPARGPPARDFFAR1SMPD1
SCHEMBL13899475 0.92 PPARG (0.50) PPARAPPARGPPARDFFAR1SMPD1
SCHEMBL10184378 0.92 PPARG (0.50) PPARAPPARGPPARDFFAR1SMPD1
SCHEMBL10183880 0.91 PPARG (0.55) PPARAPPARGPPARDFFAR1SMPD1
SCHEMBL13905990 0.88 PPARG (0.53) PPARAPPARGPPARDFFAR1SMPD1
SCHEMBL13899198 0.85 PPARA (0.54) PPARAPPARGPPARDFFAR1SMPD1
SCHEMBL13899563 0.84 PPARG (0.50) PPARAPPARGPPARDFFAR1S1PR1
SCHEMBL13899547 0.84 PPARG (0.50) PPARAPPARGPPARDFFAR1S1PR1
SCHEMBL10184745 0.84 FFAR1 (0.53) PPARAPPARGPPARDFFAR1SMPD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531810-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed