SCHEMBL4687963

SCHEMBL4687963

CC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)CNC1CC1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.39
CNR1 P21554 4/20 0.36
CNR2 P34972 2/20 0.36
BACE1 P56817 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PRCP P42785 2/20 0.35
MCHR1 Q99705 1/20 0.35
SSTR4 P31391 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4693143 0.83 NPSR1 (0.40) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL4688708 0.82 CNR1 (0.41) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL4694021 0.80 RAB9A (0.43) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL4691800 0.78 CNR1 (0.40) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL3526244 0.78 CNR1 (0.60) CNR1CNR2
SCHEMBL4693177 0.77 GRN (0.48) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL4691407 0.77 TSHR (0.39) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL4692921 0.76 USP2 (0.44) TP53THRBLMNAALDH1A1TSHR
SCHEMBL4695815 0.75 POLB (0.40) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL4692156 0.75 CNR1 (0.42) CNR1CNR2LMNA

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