SCHEMBL9077003

SCHEMBL9077003

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CNc1ccc(C(=N)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.49
F10 P00742 6/20 0.44
PRSS1 P07477 1/20 0.44
TMPRSS11D O60235 5/20 0.43
PLG P00747 4/20 0.43
PLAU P00749 3/20 0.43
ST14 Q9Y5Y6 3/20 0.43

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
SCHEMBL9077005 1.00 F2 (0.49) F2F10PRSS1TMPRSS11DPLG
SCHEMBL9077011 0.85 F2 (0.39) F2PRSS1
SCHEMBL9076445 0.85 DPP4 (0.55) F2PRSS1
SCHEMBL9076227 0.83 ACE (0.51) F2PRSS1
SCHEMBL9074718 0.80 F2 (0.62) F2F10PRSS1PLGPLAU
SCHEMBL9074726 0.80 F2 (0.62) F2F10PRSS1PLGPLAU
SCHEMBL8781169 0.79 TMPRSS11D (0.54) F2F10TMPRSS11DPLG
Acetic Acid SCHEMBL8780982 0.78 TMPRSS11D (0.52) F2F10TMPRSS11DPLG
SCHEMBL6438372 0.75 ACE (0.58)
SCHEMBL6438368 0.75 ACE (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0623596-A1 N-acylpyrrolidines or N-acylpiperidines having a guanidinyl- or amidinyl-substituted side chain as thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 EP disclosed