SCHEMBL4787137

SCHEMBL4787137

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NNc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 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
SCHEMBL4740422 0.87 POLB (0.50) USP2GAALMNASMN1; SMN2CYP2C19
SCHEMBL4740078 0.86 GAA (0.50) DPP4USP2GAALMNASMN1; SMN2
SCHEMBL4736709 0.84 LMNA (0.57) DPP4LMNASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL4737593 0.84 LMNA (0.57) DPP4LMNASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL4736650 0.84 P2RX7 (0.53) USP2GAALMNASMN1; SMN2CYP2C19
SCHEMBL4740625 0.83 LMNA (0.57) LMNASMN1; SMN2CYP2C19ALDH1A1L3MBTL1
SCHEMBL4740908 0.83 P2RX7 (0.49) USP2GAALMNACYP2C19HSD17B10
SCHEMBL4737612 0.83 LMNA (0.50) DPP4USP2GAALMNASMN1; SMN2
SCHEMBL4738276 0.82 CYP2C19 (0.52) DPP4GAALMNASMN1; SMN2CYP2C19
SCHEMBL4738286 0.81 LMNA (0.55) DPP4GAALMNASMN1; SMN2CYP2C19

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 1 patent. 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