SCHEMBL4737593

SCHEMBL4737593

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.50
DPP4 P27487 2/20 0.48
NPC1 O15118 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4736709 1.00 LMNA (0.57) LMNASMN1; SMN2CYP2C19CYP3A4DPP4
SCHEMBL4738276 0.91 CYP2C19 (0.52) LMNASMN1; SMN2CYP2C19CYP3A4DPP4
SCHEMBL4741627 0.90 CYP2C19 (0.59) LMNASMN1; SMN2CYP2C19CYP3A4DPP4
SCHEMBL4738286 0.90 LMNA (0.55) LMNASMN1; SMN2CYP2C19CYP3A4DPP4
SCHEMBL4737612 0.89 LMNA (0.50) LMNASMN1; SMN2CYP2C19CYP3A4DPP4
SCHEMBL4740136 0.89 USP5 (0.53) LMNASMN1; SMN2CYP2C19CYP3A4DPP4
SCHEMBL4736640 0.89 AKR1C3 (0.55) LMNASMN1; SMN2CYP2C19DPP4ALDH1A1
SCHEMBL4736675 0.89 MEN1 (0.54) LMNASMN1; SMN2CYP2C19CYP3A4ALDH1A1
SCHEMBL4736676 0.88 CYP3A4 (0.51) LMNASMN1; SMN2CYP2C19CYP3A4ALDH1A1
SCHEMBL4738964 0.88 POLB (0.51) LMNASMN1; SMN2CYP2C19CYP3A4DPP4

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