SCHEMBL30749341

SCHEMBL30749341

CCCCN(C(=O)O)C1(c2ccc(Cn3c(=S)[nH]c(=O)c4[nH]ccc43)cc2)CCC1.NC1(c2ccc(Cn3c(=S)[nH]c(=O)c4[nH]ccc43)cc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 20/20 0.40
▸ TPO P07202 19/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KCNH2 Q12809 2/20 0.38

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
SCHEMBL27224050 0.84 MPO (0.53) MPOTPOCYP3A4KCNH2
SCHEMBL27224142 0.73 MPO (0.49) MPOTPOCYP3A4KCNH2
SCHEMBL27223427 0.73 MPO (0.52) MPOTPOCYP3A4KCNH2
SCHEMBL27223539 0.66 MPO (0.47) MPOTPOCYP3A4KCNH2
SCHEMBL21530641 0.65 MPO (0.63) MPOTPOCYP3A4KCNH2
SCHEMBL27224085 0.64 MPO (0.48) MPOTPOCYP3A4KCNH2
SCHEMBL27223578 0.61 MPO (0.52) MPOTPOCYP3A4KCNH2
SCHEMBL8223760 0.60 MPO (0.67) MPOTPOCYP3A4KCNH2
SCHEMBL17782055 0.60 MPO (0.72) MPOTPOCYP3A4KCNH2
SCHEMBL1536649 0.59 MPO (0.54) MPOTPOCYP3A4KCNH2

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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