SCHEMBL28668257

SCHEMBL28668257

COC(=O)Cn1c2c(c3ccccc31)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ F10 P00742 1/20 0.49
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL28667743 0.89 MEN1 (0.52) PTGDR2MEN1MAPTKMT2AF10
SCHEMBL28666341 0.86 F10 (0.55) F10
SCHEMBL28688193 0.85 PTGDR2 (0.52) PTGDR2F10CYP2C9
SCHEMBL28689653 0.85 PTGDR2 (0.52) PTGDR2F10CYP2C9
SCHEMBL28688188 0.82 CYP2C9 (0.51) PTGDR2F10CYP2C9
SCHEMBL28676547 0.81 HDAC6 (0.62) —
SCHEMBL28668268 0.81 PTGDR2 (0.56) PTGDR2CYP2C9
SCHEMBL29246417 0.81 PTGDR2 (0.54) PTGDR2CYP2C9
SCHEMBL28689649 0.80 CYP2C9 (0.65) PTGDR2CYP2C9
SCHEMBL28661635 0.78 CYP2C9 (0.51) PTGDR2CYP2C9

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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