SCHEMBL20111682

SCHEMBL20111682

CC(C)(C)OC(=O)N[C@H]1C[C@@](N2CCC(c3c[nH]c4ncccc34)CC2)([SH](=O)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.49
OPRL1 P41146 4/20 0.44
OPRM1 P35372 4/20 0.44
OPRK1 P41145 3/20 0.44
AXL P30530 5/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 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
SCHEMBL3349201 0.84 JAK1 (0.53) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL20111683 0.81 HSD11B1 (0.49) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL21714322 0.81 HSD11B1 (0.49) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL21714263 0.81 HSD11B1 (0.49) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL20111764 0.80 HSD11B1 (0.51) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL2267177 0.78 HSD11B1 (0.63) HSD11B1OPRL1OPRM1OPRK1JAK2
SCHEMBL5750470 0.77 HSD11B1 (0.56) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL27823059 0.75 HSD11B1 (0.58) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL12509445 0.75 HSD11B1 (0.69) HSD11B1OPRL1OPRM1OPRK1JAK2
SCHEMBL23153227 0.74 HSD11B1 (0.51) HSD11B1OPRL1OPRM1OPRK1AXL

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-2018078360-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2018-05-03 WO disclosed