SCHEMBL28899291

SCHEMBL28899291

Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NC(CCCNC(=N)N)C(=O)O)cc1.Nc1ccc(O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
NMUR2 Q9GZQ4 2/20 0.36
NMUR1 Q9HB89 2/20 0.36
F2 P00734 8/20 0.36
PRSS1 P07477 5/20 0.36
PRSS2 P07478 5/20 0.36
PRSS3 P35030 5/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGA2 P17301 1/20 0.35
EPHA2 P29317 2/20 0.35

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
SCHEMBL9603823 0.92 DPP4 (0.44) DPP4ITGB3ITGA2BF2PRSS1
SCHEMBL2226082 0.91 DPP4 (0.46) DPP4ITGB3ITGA2BF2PRSS1
SCHEMBL14336163 0.85 DPP4 (0.45) DPP4ITGB3ITGA2BF2PRSS1
SCHEMBL12955580 0.84 F2 (0.44) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL12955380 0.83 DPP4 (0.42) DPP4ITGB3ITGA2BF2PRSS1
SCHEMBL8469063 0.81 F2 (0.35) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL5597236 0.80 DPP4 (0.40) DPP4ITGB3ITGA2BNMUR2NMUR1
SCHEMBL9396036 0.80 DPP4 (0.43) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL3239444 0.79 F2 (0.46) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL19210494 0.78 ACE (0.44) DPP4ITGB3ITGA2BNMUR2NMUR1

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-111684076-A Fibrinogen assay 帝斯曼知识产权资产管理有限公司 2020-09-18 CN disclosed