SCHEMBL28665682

SCHEMBL28665682

COc1ccc(C(=O)N2CCc3c(n(CC(=O)NO)c4ccccc34)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.55
▸ CYP2C9 P11712 1/20 0.53

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
SCHEMBL28668268 0.90 PTGDR2 (0.56) PTGDR2CYP2C9
SCHEMBL28672524 0.89 PTGDR2 (0.65) PTGDR2CYP2C9
SCHEMBL28683406 0.87 CYP2C9 (0.65) PTGDR2CYP2C9
SCHEMBL28665679 0.87 PTGDR2 (0.55) PTGDR2CYP2C9
SCHEMBL28678701 0.86 CYP2C9 (0.55) PTGDR2CYP2C9
SCHEMBL28678670 0.85 HDAC6 (0.72) —
SCHEMBL28689655 0.85 PTGDR2 (0.55) PTGDR2CYP2C9
SCHEMBL28688326 0.83 — —
SCHEMBL28689645 0.82 PTGDR2 (0.52) PTGDR2CYP2C9
SCHEMBL28683412 0.82 F10 (0.53) 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 2 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-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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