SCHEMBL23225706

SCHEMBL23225706

CC(C)OCCn1c(=S)n(COC(=O)C(C)(C)C)c(=O)c2c1ccn2COC=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ OPRM1 P35372 1/20 0.32
▸ MPO P05164 1/20 0.32

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
SCHEMBL23217963 0.93 POLB (0.38) POLBGAANPSR1OPRM1MPO
SCHEMBL23218019 0.83 OPRM1 (0.32) OPRM1MPO
SCHEMBL23225679 0.80 — —
SCHEMBL23225604 0.79 MPO (0.35) OPRM1MPO
SCHEMBL27103673 0.79 — —
SCHEMBL27103572 0.78 OPRM1 (0.32) OPRM1MPO
SCHEMBL27144508 0.76 — —
SCHEMBL27102076 0.75 KDM4E (0.31) GAA
SCHEMBL23225722 0.74 OPRM1 (0.32) OPRM1MPO
SCHEMBL23225599 0.74 MPO (0.54) GAAOPRM1MPO

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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