Piperidine

Piperidine

SCHEMBL7370685

C1CCNCC1.N=C(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)O)cc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.53
F10 P00742 5/20 0.52
PLAU P00749 3/20 0.49
PLG P00747 3/20 0.49
TMPRSS6 Q8IU80 1/20 0.49
CA2 P00918 1/20 0.49
PRSS1 P07477 2/20 0.48
PLAT P00750 2/20 0.48
ST14 Q9Y5Y6 1/20 0.48
KAT6A Q92794 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL3419341 0.92 F2 (0.60) F2F10PLAUPLGTMPRSS6
SCHEMBL3057528 0.92 F2 (0.60) F2F10PLAUPLGTMPRSS6
SCHEMBL29514928 0.84 PLG (0.67) F2F10PLAUPLGPRSS1
SCHEMBL29651383 0.84 PLG (0.67) F2F10PLAUPLGPRSS1
SCHEMBL9189122 0.84 PLG (0.67) F2F10PLAUPLGPRSS1
SCHEMBL872422 0.84 PLG (0.67) F2F10PLAUPLGPRSS1
SCHEMBL8144360 0.84 PLG (0.67) F2F10PLAUPLGPRSS1
SCHEMBL9664068 0.83 F10 (0.71) F2F10PLAUPLGTMPRSS6
SCHEMBL9710389 0.80 F2 (0.70) F2F10PLAUPLGTMPRSS6
SCHEMBL7370481 0.80 F2 (0.58) F2F10PLAUTMPRSS6PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250720-A Intermediates for preparing peptide boronic acid inhibitors of trypsin-like proteases THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1993-10-05 US disclosed
US-5242904-A Anticoagulant, antiinflammatory THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1993-09-07 US disclosed
EP-0293881-B1 PEPTIDE BORONIC ACID INHIBITORS OF TRYPSIN-LIKE PROTEASES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-10 EP disclosed
US-5187157-A Anticoagulant, antiinflammatory agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-02-16 US disclosed
EP-0293881-A2 Peptide boronic acid inhibitors of trypsin-like proteases THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-12-07 EP disclosed