SCHEMBL28688188

SCHEMBL28688188

COC(=O)Cn1c2c(c3ccccc31)CCN(C(=O)c1cc(F)cc(F)c1)C2

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.51
▸ PTGDR2 Q9Y5Y4 1/20 0.51
▸ F10 P00742 1/20 0.49

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
SCHEMBL28688193 0.92 PTGDR2 (0.52) CYP2C9PTGDR2F10
SCHEMBL29246417 0.91 PTGDR2 (0.54) CYP2C9PTGDR2
SCHEMBL28689645 0.87 PTGDR2 (0.52) CYP2C9PTGDR2F10
SCHEMBL28680236 0.86 PARP1 (0.50) CYP2C9PTGDR2
SCHEMBL28668268 0.85 PTGDR2 (0.56) CYP2C9PTGDR2
SCHEMBL29246418 0.85 CYP2C9 (0.50) CYP2C9PTGDR2
SCHEMBL28689653 0.85 PTGDR2 (0.52) CYP2C9PTGDR2F10
SCHEMBL28930615 0.85 PTGDR2 (0.54) CYP2C9PTGDR2
SCHEMBL28689649 0.84 CYP2C9 (0.65) CYP2C9PTGDR2
SCHEMBL28681622 0.83 CYP2C9 (0.55) CYP2C9PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113845522-A Aminopeptidase N inhibitor and preparation method and application thereof 山东省药学科学院 2021-12-28 — — CN claimed
CN-113845522-B Aminopeptidase N inhibitor and preparation method and application thereof 山东省药学科学院 2024-05-14 — — CN disclosed
CN-113845522-A Aminopeptidase N inhibitor and preparation method and application thereof 山东省药学科学院 2021-12-28 — — CN disclosed
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