SCHEMBL30749377

SCHEMBL30749377

CC(C)(C)OC(=O)N1Cc2ccc(Cn3c(=S)[nH]c(=O)c4[nH]ccc43)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 18/20 0.44
▸ TPO P07202 17/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HDAC1 Q13547 1/20 0.42

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
SCHEMBL27224085 0.86 MPO (0.48) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL30749276 0.81 MPO (0.52) MPOTPOKCNH2CYP3A4
SCHEMBL27223576 0.81 MPO (0.52) MPOTPOKCNH2CYP3A4
SCHEMBL30749375 0.81 MPO (0.44) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL30749175 0.78 MPO (0.52) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL27223578 0.78 MPO (0.52) MPOTPOOPRM1KCNH2CYP3A4
SCHEMBL29211238 0.76 MPO (0.56) MPOTPOKCNH2CYP3A4
SCHEMBL27223618 0.75 MPO (0.57) MPOTPOOPRM1KCNH2
SCHEMBL30749207 0.75 MPO (0.57) MPOTPOOPRM1KCNH2
SCHEMBL27224056 0.72 MPO (0.56) MPOTPOOPRM1

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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