SCHEMBL4740136

SCHEMBL4740136

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NN1CCC(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP5 P45974 5/20 0.53
CYP2C19 P33261 2/20 0.47
CCR5 P51681 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DPP4 P27487 2/20 0.46
TSHR P16473 1/20 0.45
STAT3 P40763 1/20 0.45
RAB9A P51151 1/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL4738276 0.89 CYP2C19 (0.52) CYP2C19LMNASMN1; SMN2CYP3A4MEN1
SCHEMBL4736709 0.89 LMNA (0.57) CYP2C19HDAC6LMNASMN1; SMN2CYP3A4
SCHEMBL4737593 0.89 LMNA (0.57) CYP2C19HDAC6LMNASMN1; SMN2CYP3A4
SCHEMBL4736675 0.87 MEN1 (0.54) CYP2C19LMNASMN1; SMN2CYP3A4MEN1
SCHEMBL4738286 0.86 LMNA (0.55) CYP2C19HDAC6LMNASMN1; SMN2CYP3A4
SCHEMBL4737612 0.85 LMNA (0.50) CYP2C19HDAC6LMNASMN1; SMN2CYP3A4
SCHEMBL4739751 0.85 HSD11B1 (0.54) USP5CYP2C19HDAC6LMNATSHR
SCHEMBL4741627 0.83 CYP2C19 (0.59) CYP2C19HDAC6LMNASMN1; SMN2CYP3A4
SCHEMBL4736640 0.83 AKR1C3 (0.55) CYP2C19LMNASMN1; SMN2DPP4
SCHEMBL4740625 0.81 LMNA (0.57) CYP2C19LMNASMN1; SMN2CYP3A4TSHR

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