SCHEMBL4694805

SCHEMBL4694805

CC(c1ccc(Cl)cc1)C(CNC(=O)CCc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.41
CNR1 P21554 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
UTS2R Q9UKP6 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.39
KCNA5 P22460 1/20 0.39
TACR1 P25103 1/20 0.38
CNR2 P34972 1/20 0.37
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37

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
SCHEMBL4692460 0.93 HPGD (0.46) KMT2AMEN1SLC6A9SLC6A5L3MBTL1
SCHEMBL4693279 0.90 CNR1 (0.45) KMT2AMEN1SLC6A9SLC6A5L3MBTL1
SCHEMBL4693928 0.81 CNR1 (0.48) KMT2ASLC6A9SLC6A5L3MBTL1ALDH1A1
SCHEMBL13113965 0.79 KMT2A (0.45) KMT2AMEN1SLC6A9SLC6A5L3MBTL1
SCHEMBL3527872 0.77 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL13804769 0.77 CNR1 (0.60) CNR1CNR2FDFT1
SCHEMBL4689377 0.77 L3MBTL1 (0.40) KMT2AMEN1L3MBTL1ALDH1A1RAB9A
SCHEMBL4689240 0.77 HPGD (0.39) KMT2AMEN1L3MBTL1ALDH1A1RAB9A
SCHEMBL5266049 0.76 RAB9A (0.60) KMT2AMEN1SLC6A9SLC6A5L3MBTL1
SCHEMBL4689271 0.74 RAB9A (0.48) KMT2AMEN1L3MBTL1ALDH1A1RAB9A

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-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed