SCHEMBL19210494

SCHEMBL19210494

Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
DPP4 P27487 3/20 0.43
FKBP1A P62942 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
GAA P10253 2/20 0.38
ITGA4 P13612 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGA2 P17301 1/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
PLAU P00749 1/20 0.37
HPN P05981 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.37
NMUR1 Q9HB89 1/20 0.37
EPHA2 P29317 1/20 0.36

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
SCHEMBL14335605 0.94 ACE (0.43) ACEACE2DPP4FKBP1AGAA
SCHEMBL2226082 0.87 DPP4 (0.46) DPP4FKBP1AITGB3ITGA2BF2
SCHEMBL9603823 0.84 DPP4 (0.44) DPP4FKBP1AITGB3ITGA2BITGA4
SCHEMBL11875888 0.81 KMT2A (0.46) DPP4FKBP1AITGB3ITGA2BALDH1A1
SCHEMBL14336163 0.81 DPP4 (0.45) DPP4FKBP1AITGB3ITGA2BF2
SCHEMBL4336585 0.80 ACE (0.43) ACEACE2ITGA4ITGB1F2
SCHEMBL7853147 0.78 DPP4 (0.41) DPP4F2
SCHEMBL9577364 0.78 DPP4 (0.41) DPP4F2
SCHEMBL15524993 0.78 DPP4 (0.41) DPP4F2
SCHEMBL28899291 0.78 DPP4 (0.39) DPP4ITGB3ITGA2BITGA4ITGB1

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
EP-2723886-B1 DETERMINATION OF DIRECT THROMBIN INHIBITORS IN SERUM OR URINE DOASENSE GMBH (DE) 2017-08-16 EP claimed