SCHEMBL20111764

SCHEMBL20111764

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.51
OPRL1 P41146 4/20 0.45
OPRM1 P35372 3/20 0.45
OPRK1 P41145 3/20 0.45
AXL P30530 6/20 0.44
CCR2 P41597 1/20 0.41

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
SCHEMBL20111765 0.80 HSD11B1 (0.49) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL20111759 0.80 HSD11B1 (0.49) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL21714613 0.80 HSD11B1 (0.49) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL20111682 0.80 HSD11B1 (0.49) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL16801704 0.74 KDM4E (0.65) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL21714171 0.74 HSD11B1 (0.54) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL21714173 0.73 HSD11B1 (0.54) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL2267177 0.73 HSD11B1 (0.63) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL6158491 0.73 HSD11B1 (0.66) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL14280715 0.72 HSD11B1 (0.60) HSD11B1OPRL1OPRM1OPRK1CCR2

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