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SCHEMBL30749346

SCHEMBL30749346

CC(C)(C)OC(=O)N1CCCCC1c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21.O=c1[nH]c(=S)n(Cc2ccc(Cl)cc2C2CCCCN2)c2cc[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 20/20 0.57
▸ TPO P07202 16/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46

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
SCHEMBL30749315 0.94 MPO (0.53) MPOTPOKCNH2CYP3A4
SCHEMBL30749342 0.92 MPO (0.53) MPOTPOKCNH2CYP3A4
SCHEMBL27223430 0.85 MPO (0.76) MPOTPOKCNH2CYP3A4
SCHEMBL30749249 0.85 MPO (0.76) MPOTPOKCNH2CYP3A4
SCHEMBL27223414 0.85 MPO (0.76) MPOTPOKCNH2CYP3A4
SCHEMBL27223348 0.85 MPO (0.76) MPOTPOKCNH2CYP3A4
SCHEMBL30749317 0.83 MPO (0.59) MPOTPOKCNH2
SCHEMBL27223477 0.83 MPO (0.59) MPOTPOKCNH2
SCHEMBL27224051 0.83 MPO (0.56) MPOTPOKCNH2CYP3A4
SCHEMBL30749208 0.83 MPO (0.51) MPOTPOKCNH2CYP3A4

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
EP-4573096-A1 INHIBITORS OF MYELOPEROXIDASE Astrazeneca AB (SE) 2025-06-25 — — EP disclosed
WO-2024038131-A1 INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2024-02-22 — — WO disclosed
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