SCHEMBL28508015

SCHEMBL28508015

Cn1c(C(N)=O)nc2c1CN(C(=O)O)C2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL29225581 0.87 HDAC1 (0.31) HDAC1HDAC2
SCHEMBL17380163 0.80 DPP4 (0.36) DPP4
SCHEMBL34472214 0.78 DPP4 (0.39) DPP4
SCHEMBL30916147 0.77 CREBBP (0.39) DPP4
SCHEMBL23611067 0.74 PDCD1 (0.46) DPP4
SCHEMBL28500122 0.73
SCHEMBL28895623 0.73 PDCD1 (0.36) DPP4
SCHEMBL28905806 0.73 HDAC1 (0.38) HDAC1HDAC2
SCHEMBL30966759 0.71 PDCD1 (0.39)
SCHEMBL28204771 0.70 PDCD1 (0.38) DPP4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849047-B Biphenyl derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-01-15 CN disclosed