SCHEMBL21153217

SCHEMBL21153217

NC[C@@H](CS)NC[C@@H](N)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.30

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
SCHEMBL21111319 0.79 OPRK1 (0.38) OPRK1
SCHEMBL21134687 0.79 OPRK1 (0.38) OPRK1
SCHEMBL19934633 0.79 OPRK1 (0.38) OPRK1
SCHEMBL19934670 0.79 OPRK1 (0.38) OPRK1
SCHEMBL19934675 0.79 OPRK1 (0.38) OPRK1
SCHEMBL21153274 0.79 OPRK1 (0.38) OPRK1
SCHEMBL21153799 0.78 OPRK1 (0.33) OPRK1
Hydrochloric Acid SCHEMBL21084949 0.77 OPRK1 (0.37) OPRK1
Hydrochloric Acid SCHEMBL21084938 0.77 OPRK1 (0.37) OPRK1
SCHEMBL21153703 0.77 OPRK1 (0.37) OPRK1

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
EP-3508476-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) 2019-07-10 EP disclosed