SCHEMBL4736650

SCHEMBL4736650

Cc1cccc(NNC(=O)CC2CCCN(S(=O)(=O)c3ccccc3)C2)c1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.53
HSD17B10 Q99714 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL4740908 0.86 P2RX7 (0.49) P2RX7HSD17B10CYP2C19LMNAUSP2
SCHEMBL4787137 0.84 DPP4 (0.49) HSD17B10CYP2C19LMNAL3MBTL1USP2
SCHEMBL4740078 0.81 GAA (0.50) CYP2C19LMNAUSP2GAASMN1; SMN2
SCHEMBL4736653 0.79 HSD11B1 (0.55) P2RX7GAAALDH1A1
SCHEMBL4738276 0.77 CYP2C19 (0.52) CYP2C19LMNAGAASMN1; SMN2KMT2A
SCHEMBL4736655 0.77 HSD17B10 (0.47) HSD17B10CYP2C19LMNAUSP2GAA
SCHEMBL4736709 0.77 LMNA (0.57) CYP2C19LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4737593 0.77 LMNA (0.57) CYP2C19LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4740625 0.76 LMNA (0.57) CYP2C19LMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4737612 0.76 LMNA (0.50) HSD17B10CYP2C19LMNAUSP2GAA

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