SCHEMBL10184745

SCHEMBL10184745

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
PPARG P37231 17/20 0.52
PPARA Q07869 17/20 0.52
PPARD Q03181 13/20 0.52
S1PR1 P21453 1/20 0.46
SMPD1 P17405 1/20 0.43

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
SCHEMBL10185919 1.00 FFAR1 (0.53) FFAR1PPARGPPARAPPARDS1PR1
SCHEMBL10184424 0.93 PPARA (0.54) FFAR1PPARGPPARAPPARDS1PR1
SCHEMBL13899410 0.93 PPARA (0.54) FFAR1PPARGPPARAPPARDS1PR1
SCHEMBL10184378 0.92 PPARG (0.50) FFAR1PPARGPPARAPPARDS1PR1
SCHEMBL13899475 0.92 PPARG (0.50) FFAR1PPARGPPARAPPARDS1PR1
SCHEMBL10183888 0.91 PPARA (0.54) FFAR1PPARGPPARAPPARD
SCHEMBL13899197 0.91 PPARA (0.55) FFAR1PPARGPPARAPPARDS1PR1
SCHEMBL10185914 0.90 FFAR1 (0.56) FFAR1PPARGPPARAPPARDS1PR1
SCHEMBL13899200 0.90 PPARA (0.55) FFAR1PPARGPPARAPPARDS1PR1
SCHEMBL13905998 0.90 PPARG (0.51) FFAR1PPARGPPARAPPARDS1PR1

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-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
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed