SCHEMBL28689653

SCHEMBL28689653

COC(=O)Cn1c2c(c3ccccc31)CCN(C(=O)c1cccc(Br)c1)C2

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ F10 P00742 1/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ PTGIR P43119 1/20 0.49
▸ PRLHR P49683 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ GPR119 Q8TDV5 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 0.89 PTGDR2 (0.52) PTGDR2CYP2C9F10
SCHEMBL28688093 0.89 PTGDR2 (0.54) PTGDR2CYP2C9F10
SCHEMBL28668257 0.85 PTGDR2 (0.49) PTGDR2CYP2C9F10
SCHEMBL28688188 0.85 CYP2C9 (0.51) PTGDR2CYP2C9F10
SCHEMBL28689649 0.85 CYP2C9 (0.65) PTGDR2CYP2C9
SCHEMBL29246417 0.83 PTGDR2 (0.54) PTGDR2CYP2C9
SCHEMBL28668268 0.83 PTGDR2 (0.56) PTGDR2CYP2C9
SCHEMBL28681622 0.83 CYP2C9 (0.55) PTGDR2CYP2C9
SCHEMBL28930615 0.81 PTGDR2 (0.54) PTGDR2CYP2C9
SCHEMBL28661635 0.81 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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