SCHEMBL4740140

SCHEMBL4740140

O=C(CC1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1)NN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
EPHX2 P34913 1/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.41
ATAD2 Q6PL18 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACLY P53396 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR2 P34972 1/20 0.39
CYP19A1 P11511 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4786793 0.89 CNR1 (0.47) CNR1LMNAPOLBATAD2L3MBTL1
SCHEMBL4739847 0.87 POLB (0.49) LMNAPOLBATAD2L3MBTL1ACLY
SCHEMBL4737502 0.87 POLB (0.49) LMNAPOLBATAD2L3MBTL1ACLY
SCHEMBL4740214 0.85 POLB (0.60) CNR1POLBATAD2L3MBTL1ALDH1A1
SCHEMBL4738964 0.84 POLB (0.51) LMNAPOLBL3MBTL1ALDH1A1MAPT
SCHEMBL4741097 0.84 ALDH1A1 (0.51) LMNAPOLBATAD2L3MBTL1ALDH1A1
SCHEMBL4740459 0.84 ALDH1A1 (0.51) LMNAPOLBATAD2L3MBTL1ALDH1A1
SCHEMBL4740901 0.83 CYP19A1 (0.58) LMNAPOLBL3MBTL1ALDH1A1MAPT
SCHEMBL4740191 0.83 ALDH1A1 (0.55) EPHX2LMNAPOLBALDH1A1MAPT
SCHEMBL4737402 0.83 EPHX2 (0.62) EPHX2LMNAALDH1A1MAPTNPSR1

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
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed