SCHEMBL28896519

SCHEMBL28896519

CN(C(=O)OC(C)(C)C)C1(OCCn2c(=S)[nH]c(=O)c3[nH]ccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 19/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ TPO P07202 15/20 0.41
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL28896649 0.81 MPO (0.53) MPOOPRM1TPOKCNH2
SCHEMBL29211240 0.80 MPO (0.52) MPOOPRM1TPOKCNH2
SCHEMBL28959826 0.79 MPO (0.50) MPOOPRM1TPO
SCHEMBL28896077 0.78 MPO (0.51) MPOOPRM1TPO
SCHEMBL28896523 0.77 MPO (0.48) MPOOPRM1TPO
SCHEMBL28896556 0.74 MPO (0.58) MPOOPRM1TPOKCNH2
SCHEMBL28959822 0.72 MPO (0.53) MPOOPRM1TPOKCNH2
SCHEMBL30029009 0.72 MPO (0.58) MPOOPRM1TPOKCNH2
SCHEMBL30829433 0.72 MPO (0.58) MPOOPRM1TPOKCNH2
Verdiperstat SCHEMBL1536607 0.69 MPO (1.00) MPOOPRM1TPOKCNH2

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
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 — — CN disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 — — CN disclosed
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