SCHEMBL5231072

SCHEMBL5231072

CNC1(C(C)=O)CN(c2ccc(-c3ccc(Cl)cc3Cl)cn2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
CNR2 P34972 6/20 0.41
DGAT1 O75907 3/20 0.40
KCNH2 Q12809 3/20 0.40
CNR1 P21554 7/20 0.38
MGLL Q99685 2/20 0.36
RET P07949 1/20 0.36
PANK3 Q9H999 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
SCHEMBL5237002 0.95 DGAT1 (0.41) MCHR1CNR2DGAT1KCNH2CNR1
SCHEMBL5236755 0.89 MGLL (0.41) MCHR1CNR2DGAT1KCNH2MGLL
SCHEMBL5239862 0.86 SRD5A2 (0.39) MCHR1CNR1
SCHEMBL5234753 0.85 DGAT1 (0.41) MCHR1CNR2DGAT1KCNH2CNR1
SCHEMBL5231079 0.82 DGAT1 (0.39) MCHR1CNR2DGAT1KCNH2CNR1
SCHEMBL5238522 0.80 PANK3 (0.43) PANK3
SCHEMBL5238349 0.79 MAPT (0.45) DGAT1KCNH2MGLLPANK3
SCHEMBL5237009 0.78 DGAT1 (0.39) MCHR1CNR2DGAT1KCNH2CNR1
SCHEMBL5237020 0.77 MGLL (0.47) DGAT1KCNH2MGLL
SCHEMBL5236873 0.77 SLC6A7 (0.50) CNR2

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