SCHEMBL4786641

SCHEMBL4786641

O=C(CC1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1)NN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP19A1 P11511 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4740391 0.91 ALDH1A1 (0.47) L3MBTL1ALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL4741085 0.90 L3MBTL1 (0.53) L3MBTL1ALDH1A1KMT2APOLBHTT
SCHEMBL4738269 0.90 CYP3A4 (0.47) L3MBTL1ALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL4740144 0.89 L3MBTL1 (0.61) L3MBTL1ALDH1A1KMT2APOLBHTT
SCHEMBL4738285 0.87 CYP19A1 (0.55) L3MBTL1ALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL4808038 0.86 MAPT (0.48) L3MBTL1ALDH1A1CYP3A4CYP2C19KDM4E
SCHEMBL4738988 0.86 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL4736822 0.85 L3MBTL1 (0.45) L3MBTL1ALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL4785702 0.85 MAPK1 (0.52) L3MBTL1ALDH1A1KMT2AHTTKDM4E
SCHEMBL4737393 0.84 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2ACYP3A4CYP2C19

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