SCHEMBL6680168

SCHEMBL6680168

CCCNC(=O)c1cc(CNC[C@H](C)c2ccccc2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.51
PPARG P37231 5/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARD Q03181 2/20 0.47
KCNA3 P22001 1/20 0.47
ROCK2 O75116 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
BRD4 O60885 1/20 0.44

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
SCHEMBL6680171 1.00 PPARA (0.51) PPARAPPARGMEN1KMT2APPARD
SCHEMBL6095313 0.85 KMT2A (0.50) PPARAPPARGMEN1KMT2AKCNA3
SCHEMBL6095311 0.85 KMT2A (0.50) PPARAPPARGMEN1KMT2AKCNA3
SCHEMBL6097182 0.85 LMNA (0.54) PPARAPPARGMEN1KMT2AKCNA3
SCHEMBL6094309 0.85 LMNA (0.54) PPARAPPARGMEN1KMT2AKCNA3
SCHEMBL6095014 0.78 KMT2A (0.62) MEN1KMT2ALMNAHPGD
SCHEMBL6092690 0.78 KMT2A (0.62) MEN1KMT2ALMNAHPGD
SCHEMBL6092685 0.78 KMT2A (0.62) MEN1KMT2ALMNAHPGD
SCHEMBL6094413 0.75 L3MBTL1 (0.55) MEN1KMT2ALMNA
SCHEMBL6094415 0.75 L3MBTL1 (0.55) MEN1KMT2ALMNA

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-1440052-A1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-28 EP disclosed
WO-2003037847-A1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-08 WO disclosed