SCHEMBL30749191

SCHEMBL30749191

NC1(c2cccc(Cn3c(=S)[nH]c(=O)c4[nH]ccc43)c2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 19/20 0.52
▸ TPO P07202 17/20 0.52
▸ CYP3A4 P08684 2/20 0.48
▸ KCNH2 Q12809 2/20 0.45
▸ OPRM1 P35372 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
SCHEMBL27223427 1.00 MPO (0.52) MPOTPOCYP3A4KCNH2OPRM1
SCHEMBL27224050 0.87 MPO (0.53) MPOTPOCYP3A4KCNH2OPRM1
SCHEMBL30749218 0.86 MPO (0.42) MPOTPOCYP3A4KCNH2
SCHEMBL27223539 0.83 MPO (0.47) MPOTPOCYP3A4KCNH2
SCHEMBL30749243 0.78 MPO (0.43) MPOTPOKCNH2OPRM1
SCHEMBL1536647 0.75 MPO (0.52) MPOTPOCYP3A4KCNH2OPRM1
SCHEMBL1536641 0.74 MPO (0.54) MPOTPOCYP3A4KCNH2OPRM1
SCHEMBL30749341 0.73 MPO (0.40) MPOTPOCYP3A4KCNH2
SCHEMBL27224142 0.72 MPO (0.49) MPOTPOCYP3A4KCNH2
SCHEMBL30749175 0.72 MPO (0.52) MPOTPOCYP3A4KCNH2OPRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

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