SCHEMBL8823969

SCHEMBL8823969

N=C(N)c1ccc(C[C@H](NC(=O)C(N)S(=O)(=O)c2ccc3ccccc3c2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.56
F2 P00734 4/20 0.51
ITGB3 P05106 5/20 0.50
ITGA2B P08514 5/20 0.50
MME P08473 2/20 0.48
ACE P12821 2/20 0.48
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
CA1 P00915 1/20 0.47
TMPRSS6 Q8IU80 2/20 0.46
PLG P00747 3/20 0.45
F10 P00742 2/20 0.45
PLAU P00749 1/20 0.45
PRSS1 P07477 1/20 0.44

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
SCHEMBL9664076 0.90 PLG (0.56) PLGF10PLAU
Hydrochloric Acid SCHEMBL9710413 0.86 F2 (0.53) CA2F2ITGB3ITGA2BTMPRSS6
SCHEMBL4968238 0.86 PLG (0.62) F2PLGF10PLAUPRSS1
SCHEMBL9710936 0.84 MME (0.51) CA2F2MMEACECPA1
Hydrochloric Acid SCHEMBL9710928 0.84 F2 (0.52) F2ITGB3ITGA2BPLGF10
SCHEMBL3419348 0.83 ITGB1 (0.51) CA2F2ITGB3ITGA2BCA1
SCHEMBL9710389 0.83 F2 (0.70) F2ITGB3ITGA2BTMPRSS6PLG
SCHEMBL3057528 0.82 F2 (0.60) CA2F2ITGB3ITGA2BTMPRSS6
SCHEMBL3419341 0.82 F2 (0.60) CA2F2ITGB3ITGA2BTMPRSS6
SCHEMBL9710517 0.82 F2 (0.57) CA2F2ITGB3ITGA2BTMPRSS6

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
US-5607937-A Piperazides of substituted phenylalanine derivatives as thrombin inhibitors PENTAPHARM AG (CH) 1997-03-04 US disclosed