SCHEMBL28683408

SCHEMBL28683408

O=C(Cn1c2c(c3ccccc31)CCN(C(=O)c1ccccc1C(F)(F)F)C2)NO

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.48
▸ PTGDR Q13258 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ PTGER2 P43116 1/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC1 Q13547 1/20 0.46

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
SCHEMBL28675157 0.88 PTGDR2 (0.48) PTGDR2PTGDRCYP2C9PTGER2
SCHEMBL28667054 0.87 PTGDR2 (0.51) PTGDR2PTGDRCYP2C9PTGER2HDAC6
SCHEMBL28665593 0.85 CYP2C9 (0.51) PTGDR2PTGDRCYP2C9PTGER2HDAC6
SCHEMBL28689655 0.85 PTGDR2 (0.55) PTGDR2CYP2C9HDAC6HDAC1
SCHEMBL28680240 0.84 HDAC6 (0.65) HDAC6HDAC1
SCHEMBL28672524 0.83 PTGDR2 (0.65) PTGDR2CYP2C9HDAC6HDAC1
SCHEMBL28930608 0.82 PTGDR2 (0.49) PTGDR2PTGDRCYP2C9PTGER2HDAC6
SCHEMBL28665679 0.81 PTGDR2 (0.55) PTGDR2CYP2C9HDAC6HDAC1
SCHEMBL28689645 0.80 PTGDR2 (0.52) PTGDR2CYP2C9
SCHEMBL28683412 0.80 F10 (0.53) PTGDR2CYP2C9HDAC6HDAC1

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
Send feedback