SCHEMBL23217978

SCHEMBL23217978

CC(C)OCCn1c(SC(C)OC(=O)CNc2ncccc2COC(=O)CNCC(=O)OC(C)(C)C)nc(=O)c2[nH]ccc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.33
▸ MPO P05164 1/20 0.33

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
SCHEMBL23217980 0.80 OPRM1 (0.33) OPRM1MPO
SCHEMBL23218008 0.71 OPRM1 (0.46) OPRM1MPO
SCHEMBL30753861 0.66 LATS1 (0.35) —
SCHEMBL30753862 0.66 LATS1 (0.35) —
SCHEMBL23217973 0.66 OPRM1 (0.43) OPRM1MPO
SCHEMBL23225647 0.65 OPRM1 (0.46) OPRM1MPO
SCHEMBL23225646 0.64 OPRM1 (0.45) OPRM1MPO
SCHEMBL23225605 0.63 OPRM1 (0.44) OPRM1MPO
SCHEMBL23225723 0.61 OPRM1 (0.45) OPRM1MPO
Verdiperstat SCHEMBL23225670 0.60 MPO (0.58) 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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