SCHEMBL30749279

SCHEMBL30749279

CC(C)(C)OC(=O)NC1(c2ccc(Cn3c(=S)[nH]c(=O)c4[nH]ccc43)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 19/20 0.45
▸ TPO P07202 18/20 0.45
▸ KCNH2 Q12809 2/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40

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
SCHEMBL30749243 0.90 MPO (0.43) MPOTPOKCNH2OPRM1
SCHEMBL27224142 0.86 MPO (0.49) MPOTPOKCNH2CYP3A4
SCHEMBL28896649 0.77 MPO (0.53) MPOTPOKCNH2OPRM1CYP3A4
SCHEMBL27224050 0.76 MPO (0.53) MPOTPOKCNH2OPRM1CYP3A4
SCHEMBL27223539 0.76 MPO (0.47) MPOTPOKCNH2CYP3A4
SCHEMBL29211238 0.76 MPO (0.56) MPOTPOKCNH2CYP3A4
SCHEMBL30749377 0.74 MPO (0.44) MPOTPOKCNH2OPRM1CYP3A4
SCHEMBL29211240 0.73 MPO (0.52) MPOTPOKCNH2OPRM1CYP3A4
SCHEMBL22918218 0.71 AKT1 (0.40) —
SCHEMBL30601263 0.70 MPO (0.67) MPOTPOKCNH2OPRM1CYP3A4

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
Send feedback