SCHEMBL4738286

SCHEMBL4738286

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.47
DPP4 P27487 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL4737593 0.90 LMNA (0.57) LMNASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL4736709 0.90 LMNA (0.57) LMNASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL4739749 0.89 CYP3A4 (0.63) LMNASMN1; SMN2TDP1ALDH1A1KMT2A
SCHEMBL4738988 0.89 SMN1; SMN2 (0.53) LMNASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL4737612 0.89 LMNA (0.50) LMNASMN1; SMN2ALDH1A1CYP2C19CYP3A4
SCHEMBL4785702 0.88 MAPK1 (0.52) LMNASMN1; SMN2KDM4EMAPK1TDP1
SCHEMBL4738276 0.88 CYP2C19 (0.52) LMNASMN1; SMN2TDP1ALDH1A1KMT2A
SCHEMBL4740138 0.87 L3MBTL1 (0.46) LMNASMN1; SMN2KDM4EMAPK1TDP1
SCHEMBL4808038 0.87 MAPT (0.48) LMNASMN1; SMN2KDM4EMAPK1ALDH1A1
SCHEMBL4737374 0.87 L3MBTL1 (0.55) LMNASMN1; SMN2KDM4EMAPK1TDP1

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