SCHEMBL4737576

SCHEMBL4737576

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NN1CCCC(COCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
DPP4 P27487 2/20 0.42

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
SCHEMBL4741627 0.85 CYP2C19 (0.59) HSD17B10CYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL4736709 0.83 LMNA (0.57) CYP2C19MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4737593 0.83 LMNA (0.57) CYP2C19MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4736640 0.82 AKR1C3 (0.55) CYP2C19LMNASMN1; SMN2ALDH1A1DPP4
SCHEMBL4736675 0.82 MEN1 (0.54) CYP2C19MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4737612 0.80 LMNA (0.50) HSD17B10CYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL4740396 0.80 LMNA (0.51) HSD17B10CYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL4738276 0.79 CYP2C19 (0.52) CYP2C19MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4738286 0.79 LMNA (0.55) CYP2C19MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4740136 0.78 USP5 (0.53) CYP2C19MEN1KMT2ALMNASMN1; SMN2

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