SCHEMBL28175689

SCHEMBL28175689

CC(N)C(=O)N1CCCCN1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.50
DPP4 P27487 8/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 4/20 0.38
FAP Q12884 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
PREP P48147 1/20 0.38
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL28175688 1.00 MMP3 (0.50) MMP3DPP4DPP8DPP9FAP
SCHEMBL7976372 0.98 MMP3 (0.49) MMP3DPP4DPP8DPP9FAP
SCHEMBL18347968 0.84 MMP3 (0.53) MMP3DPP4CHRM5CHRM3CA2
SCHEMBL25794713 0.75 MMP3 (0.46) MMP3DPP4
SCHEMBL21013611 0.74 MMP3 (0.44) MMP3DPP4CHRM5CHRM3
SCHEMBL20197951 0.73
SCHEMBL4097865 0.73
SCHEMBL7458218 0.72
SCHEMBL27323442 0.72 CA2 (0.44) MMP3DPP4CA2CHKA
SCHEMBL2505898 0.71 MMP3 (0.41) MMP3CA2CHKA

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-104781261-B The macrocyclic hcv inhibitors of flaviviridae 吉利德科学公司 2017-08-25 CN disclosed