SCHEMBL698835

SCHEMBL698835

Cc1[c]nn(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
KCNH2 Q12809 3/20 0.43
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.39
OPRL1 P41146 1/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
TLR8 Q9NR97 2/20 0.37
OPRM1 P35372 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1900118 0.81 BCHE (0.42) NOTUMHSD11B1MAPTALDH1A1NPSR1
SCHEMBL5344492 0.72 LMNA (0.46) NOTUMKCNH2LMNAL3MBTL1HSD11B1
SCHEMBL17710261 0.72 NOTUM (0.45) NOTUMKCNH2LMNAL3MBTL1HSD11B1
SCHEMBL16201988 0.70 MAPT (0.53) NOTUMKCNH2LMNAL3MBTL1HSD11B1
SCHEMBL16201998 0.69 KCNH2 (0.43) NOTUMKCNH2LMNAL3MBTL1HSD11B1
SCHEMBL30725597 0.69 KCNH2 (0.43) NOTUMKCNH2LMNAL3MBTL1HSD11B1
SCHEMBL7227830 0.68 NOTUM (0.44) NOTUMKCNH2LMNAL3MBTL1TLR8
SCHEMBL2752537 0.68 NOTUM (0.44) NOTUMKCNH2LMNAL3MBTL1TLR8
SCHEMBL2752660 0.68 NOTUM (0.44) NOTUMKCNH2LMNAL3MBTL1TLR8
SCHEMBL30413222 0.68 NOTUM (0.65) NOTUMKCNH2L3MBTL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed