SCHEMBL4692189

SCHEMBL4692189

CC(c1ccc(Cl)cc1)C(CNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.48
CNR2 P34972 5/20 0.48
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
CDC7 O00311 2/20 0.43
PLK4 O00444 2/20 0.43
AURKA O14965 2/20 0.43
PDPK1 O15530 2/20 0.43
DAPK3 O43293 2/20 0.43
DYRK3 O43781 2/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
PIM1 P11309 2/20 0.43
PHKG2 P15735 2/20 0.43
CDK2 P24941 2/20 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
SCHEMBL4694021 0.81 RAB9A (0.43) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL4693177 0.81 GRN (0.48) CNR1CNR2MEN1KMT2ASLC6A2
SCHEMBL5262774 0.80 SLC6A9 (0.54) MEN1KMT2AGAASLC6A2SLC6A4
SCHEMBL4688836 0.80 CNR1 (0.60) CNR1CNR2
SCHEMBL4691613 0.79 CNR1 (0.62) CNR1CNR2ALDH1A1MAPTHTT
SCHEMBL2652057 0.79 CNR1 (0.62) CNR1CNR2
SCHEMBL2653467 0.79 CNR1 (0.62) CNR1CNR2ALDH1A1MAPTHTT
SCHEMBL4688708 0.78 CNR1 (0.41) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL13114017 0.78 MTNR1A (0.49) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL4690861 0.77 CNR1 (0.63) CNR1CNR2ALDH1A1MAPTHTT

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