SCHEMBL5236755

SCHEMBL5236755

CNC1(C(C)=O)CN(c2ccc(-c3ccc(Cl)cc3)cn2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.41
EGLN1 Q9GZT9 2/20 0.41
RAB9A P51151 1/20 0.39
DGAT1 O75907 3/20 0.39
KCNH2 Q12809 3/20 0.39
PANK3 Q9H999 1/20 0.38
CNR2 P34972 2/20 0.37
ADK P55263 1/20 0.36
DYRK1A Q13627 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL5234753 0.94 DGAT1 (0.41) MGLLEGLN1RAB9ADGAT1KCNH2
SCHEMBL5231072 0.89 MCHR1 (0.41) MGLLDGAT1KCNH2PANK3CNR2
SCHEMBL5238349 0.87 MAPT (0.45) MGLLDGAT1KCNH2PANK3LMNA
SCHEMBL5235440 0.85 ALDH1A1 (0.40) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL5237002 0.84 DGAT1 (0.41) DGAT1KCNH2CNR2MCHR1
SCHEMBL5238939 0.84 MCHR1 (0.39) MCHR1
SCHEMBL5238522 0.84 PANK3 (0.43) RAB9APANK3MAPTKMT2A
SCHEMBL5238842 0.82 EGLN1 (0.43) EGLN1DGAT1KMT2AME2ME1
SCHEMBL5237578 0.81 KDM4E (0.43) MGLLDGAT1KCNH2PANK3CNR2
SCHEMBL5237020 0.81 MGLL (0.47) MGLLDGAT1KCNH2LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed