SCHEMBL4688708

SCHEMBL4688708

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.41
CNR2 P34972 6/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.37
PRCP P42785 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
FFAR2 O15552 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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 0.87 RAB9A (0.43) CNR1CNR2RAB9AMEN1KMT2A
SCHEMBL4693143 0.86 NPSR1 (0.40) CNR1CNR2RAB9AMEN1KMT2A
SCHEMBL4691407 0.84 TSHR (0.39) CNR1CNR2RAB9AMEN1KMT2A
SCHEMBL4693177 0.84 GRN (0.48) CNR1CNR2RAB9AMEN1KMT2A
SCHEMBL4687963 0.82 MEN1 (0.39) CNR1CNR2RAB9AMEN1KMT2A
SCHEMBL4695815 0.82 POLB (0.40) CNR1CNR2RAB9AMEN1KMT2A
SCHEMBL4692921 0.81 USP2 (0.44) ALDH1A1LMNATDP1TP53THRB
SCHEMBL4688668 0.81 CNR1 (0.61) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL5266049 0.79 RAB9A (0.60) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4692189 0.78 CNR1 (0.48) CNR1CNR2RAB9AMEN1KMT2A

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 6 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
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed