SCHEMBL8031909

SCHEMBL8031909

CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(F)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 1.00
AGTR1 P30556 1/20 0.60

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
SCHEMBL8038784 0.92 PPARG (1.00) PPARGAGTR1
SCHEMBL4564570 0.89 PPARG (1.00) PPARG
SCHEMBL8035491 0.89 PPARG (1.00) PPARG
SCHEMBL8045639 0.89 PPARG (1.00) PPARG
SCHEMBL8032244 0.87 PPARG (1.00) PPARGAGTR1
SCHEMBL8039981 0.85 PPARG (0.83) PPARGAGTR1
SCHEMBL8038782 0.85 PPARG (1.00) PPARG
SCHEMBL22987227 0.85 PPARG (0.74) PPARG
SCHEMBL22987224 0.85 PPARG (0.74) PPARG
SCHEMBL4560828 0.84 PPARG (0.78) PPARGAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed