SCHEMBL8045581

SCHEMBL8045581

CC[C@@H](NC(=O)c1ccc(NCc2ccc(F)cc2Cl)c(N)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.50
KCNA5 P22460 1/20 0.48
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
NCOR2 Q9Y618 4/20 0.46
SLC6A9 P48067 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TACR3 P29371 4/20 0.42

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
SCHEMBL8042117 0.91 PPARG (0.59) PPARGKCNA5HDAC1TAS1R3TAS1R1
SCHEMBL8038556 0.91 PPARG (0.61) PPARGKCNA5HDAC3HDAC1HDAC2
SCHEMBL8038553 0.87 PPARG (0.60) PPARGKCNA5HDAC3HDAC1HDAC2
SCHEMBL8034156 0.86 MAPT (0.51) PPARGKCNA5
SCHEMBL4538730 0.85 PPARG (0.57) PPARGHDAC3HDAC1HDAC2NCOR2
SCHEMBL8034344 0.85 PPARG (0.54) PPARGKCNA5HDAC3HDAC1HDAC2
SCHEMBL8034326 0.84 PPARG (0.48) PPARGTAS1R3TAS1R1
SCHEMBL8040416 0.83 PPARG (0.58) PPARGKCNA5TAS1R3TAS1R1
SCHEMBL4537762 0.82 PPARG (0.48) PPARGKCNA5HDAC1
SCHEMBL8028550 0.82 PPARG (0.58) PPARGTAS1R3TAS1R1TACR3

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