SCHEMBL28310794

SCHEMBL28310794

CC(C)OCCSn1cnc(=O)c2[nH]ccc21

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.43
▸ MPO P05164 1/20 0.43

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
SCHEMBL27148100 0.79 OPRM1 (0.51) OPRM1MPO
Verdiperstat SCHEMBL23225670 0.67 MPO (0.58) OPRM1MPO
SCHEMBL23218008 0.62 OPRM1 (0.46) OPRM1MPO
SCHEMBL29879357 0.61 MPO (0.70) OPRM1MPO
SCHEMBL23217928 0.61 OPRM1 (0.47) OPRM1MPO
Verdiperstat SCHEMBL1536607 0.60 MPO (1.00) OPRM1MPO
SCHEMBL30426035 0.56 MPO (0.51) OPRM1MPO
SCHEMBL13811847 0.53 OPRM1 (0.37) OPRM1MPO
SCHEMBL9917279 0.52 PIK3CD (0.49) —
SCHEMBL15723760 0.51 MEN1 (0.41) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483492-A Dipeptidyl peptidase i inhibitors ASTRAZENECA AB 2019-11-22 — — CN disclosed
CN-105980367-B (2S) -N- [ (1S) -1-cyano-2-phenylethyl ] -1, 4-oxazepane-2-carboxamides as dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2019-08-23 — — CN disclosed
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