SCHEMBL20775412

SCHEMBL20775412

CC(C)(C)OC(=O)N1CC(S(=O)(=O)NC2CCC(c3c[nH]c4ncccc34)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.49
CCR2 P41597 2/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 1/20 0.40
OPRL1 P41146 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
AXL P30530 2/20 0.39

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
SCHEMBL20792300 1.00 HSD11B1 (0.49) HSD11B1CCR2JAK2JAK1TYK2
SCHEMBL20772683 0.86 HSD11B1 (0.50) HSD11B1CCR2OPRL1OPRM1OPRK1
SCHEMBL20111931 0.86 HSD11B1 (0.54) HSD11B1CCR2JAK2JAK1TYK2
SCHEMBL20772738 0.85 HSD11B1 (0.48) HSD11B1CCR2OPRL1OPRM1OPRK1
SCHEMBL21714519 0.82 HSD11B1 (0.55) HSD11B1CCR2JAK2JAK1TYK2
SCHEMBL20772746 0.82 JAK1 (0.45) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL2267177 0.82 HSD11B1 (0.63) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL23153231 0.81 HSD11B1 (0.51) HSD11B1CCR2JAK2JAK1TYK2
SCHEMBL21714364 0.81 HSD11B1 (0.51) HSD11B1CCR2JAK2JAK1TYK2
SCHEMBL21714117 0.81 HSD11B1 (0.54) HSD11B1JAK2JAK1TYK2JAK3

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-2019043373-A1 SUBSTITUTED CYCLYL-SULFONAMIDES AS MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2019-03-07 WO disclosed