SCHEMBL23225606

SCHEMBL23225606

CC(C)OCCN1c2cc[nH]c2C(=O)N(COP(=O)(O)O)C1S

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.36
▸ MPO P05164 1/20 0.36

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
SCHEMBL29879737 0.85 OPRM1 (0.32) OPRM1MPO
SCHEMBL23225608 0.79 OPRM1 (0.40) OPRM1MPO
SCHEMBL23225699 0.72 OPRM1 (0.39) OPRM1MPO
SCHEMBL29879452 0.68 OPRM1 (0.37) OPRM1MPO
SCHEMBL28849738 0.66 OPRM1 (0.37) OPRM1MPO
SCHEMBL29879210 0.66 OPRM1 (0.37) OPRM1MPO
SCHEMBL23225609 0.65 OPRM1 (0.37) OPRM1MPO
SCHEMBL23225621 0.65 MPO (0.55) OPRM1MPO
SCHEMBL28957065 0.60 OPRM1 (0.33) OPRM1MPO
SCHEMBL23225611 0.60 MPO (0.52) OPRM1MPO

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-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 — — WO disclosed
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