SCHEMBL28689658

SCHEMBL28689658

O=C(Cn1c2c(c3ccccc31)CCN(C(=O)c1cccc(F)c1)C2)NO

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ F10 P00742 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL28689645 0.92 PTGDR2 (0.52) PTGDR2CYP2C9F10
SCHEMBL28688093 0.89 PTGDR2 (0.54) PTGDR2CYP2C9F10
SCHEMBL28665679 0.89 PTGDR2 (0.55) PTGDR2CYP2C9F10
SCHEMBL28672524 0.89 PTGDR2 (0.65) PTGDR2CYP2C9F10
SCHEMBL28688193 0.88 PTGDR2 (0.52) PTGDR2CYP2C9F10
SCHEMBL28930608 0.86 PTGDR2 (0.49) PTGDR2CYP2C9
SCHEMBL28683412 0.85 F10 (0.53) PTGDR2CYP2C9F10
SCHEMBL28667743 0.85 MEN1 (0.52) PTGDR2CYP2C9F10
SCHEMBL28675155 0.84 HDAC6 (0.66) —
SCHEMBL28667054 0.83 PTGDR2 (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 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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