SCHEMBL4538247

SCHEMBL4538247

CC[C@@H](NC(=O)c1ccc(NCc2ncccc2Cl)c(N)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.59
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 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
SCHEMBL8032177 0.88 PPARG (0.60) PPARGTAS1R3TAS1R1
SCHEMBL8034326 0.86 PPARG (0.48) PPARGTAS1R3TAS1R1
SCHEMBL4542097 0.86 PPARG (0.56) PPARG
SCHEMBL4537201 0.85 PPARG (0.57) PPARG
SCHEMBL4537762 0.82 PPARG (0.48) PPARG
SCHEMBL8034539 0.82 PPARG (0.56) PPARGTAS1R3TAS1R1
SCHEMBL8032490 0.82 PPARG (0.55) PPARG
SCHEMBL8032181 0.81 PPARG (0.59) PPARGTAS1R3TAS1R1
SCHEMBL8038740 0.81 PPARG (0.57) PPARG
SCHEMBL8042117 0.81 PPARG (0.59) PPARGTAS1R3TAS1R1

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