SCHEMBL31603764

SCHEMBL31603764

CC(C)(C)OC(=O)NC/C(=C\F)COc1cc(Cn2c(=S)[nH]c(=O)c3[nH]ccc32)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 19/20 0.43
▸ TPO P07202 18/20 0.43
▸ KCNH2 Q12809 2/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ OPRM1 P35372 1/20 0.35

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
SCHEMBL31603775 0.85 MPO (0.41) MPOTPOKCNH2CYP3A4OPRM1
SCHEMBL31603784 0.83 MPO (0.44) MPOTPOKCNH2CYP3A4
Hydrochloric Acid SCHEMBL31603766 0.83 MPO (0.47) MPOTPOKCNH2CYP3A4OPRM1
SCHEMBL29211238 0.81 MPO (0.56) MPOTPOKCNH2CYP3A4
SCHEMBL31603797 0.77 MPO (0.52) MPOTPOKCNH2CYP3A4
SCHEMBL28896826 0.77 MPO (0.51) MPOTPOKCNH2CYP3A4OPRM1
SCHEMBL28896337 0.76 MPO (0.51) MPOTPOKCNH2CYP3A4OPRM1
SCHEMBL28896356 0.74 MPO (0.50) MPOTPOKCNH2CYP3A4OPRM1
SCHEMBL28896572 0.72 MPO (0.50) MPOTPOKCNH2CYP3A4OPRM1
SCHEMBL31603759 0.72 TSHR (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025107036-A1 DUAL INHIBITORS OF AMINE OXIDASES AND PEROXIDASES, AND USES THEREOF SYNTARA LIMITED (AU) 2025-05-30 — — WO disclosed
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