SCHEMBL4740396

SCHEMBL4740396

NC(=O)C1CCCN(NC(=O)CC2CCCN(S(=O)(=O)c3ccccc3)C2)C1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 1/20 0.51
DPP4 P27487 2/20 0.48
ALDH1A1 P00352 1/20 0.47
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 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
SCHEMBL4736640 0.92 AKR1C3 (0.55) LMNASMN1; SMN2CYP2C19DPP4ALDH1A1
SCHEMBL4737593 0.87 LMNA (0.57) LMNASMN1; SMN2CYP2C19DPP4ALDH1A1
SCHEMBL4736709 0.87 LMNA (0.57) LMNASMN1; SMN2CYP2C19DPP4ALDH1A1
SCHEMBL4741627 0.86 CYP2C19 (0.59) LMNASMN1; SMN2CYP2C19DPP4ALDH1A1
SCHEMBL4737612 0.84 LMNA (0.50) LMNASMN1; SMN2CYP2C19DPP4ALDH1A1
SCHEMBL21670262 0.83 LMNA (0.70) LMNASMN1; SMN2CYP2C19ALDH1A1AKR1C3
SCHEMBL4738276 0.83 CYP2C19 (0.52) LMNASMN1; SMN2CYP2C19DPP4ALDH1A1
SCHEMBL4738286 0.82 LMNA (0.55) LMNASMN1; SMN2CYP2C19DPP4ALDH1A1
SCHEMBL4736675 0.81 MEN1 (0.54) LMNASMN1; SMN2CYP2C19ALDH1A1USP2
SCHEMBL4740136 0.81 USP5 (0.53) LMNASMN1; SMN2CYP2C19DPP4

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