SCHEMBL20484185

SCHEMBL20484185

CC(C)(C)C(O)C(=O)N1CCCC1C(=O)NCc1cc(Cl)ccc1CN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 1.00
F10 P00742 12/20 1.00
PRSS1 P07477 12/20 1.00
PRSS2 P07478 12/20 1.00
PRSS3 P35030 12/20 1.00
F12 P00748 10/20 0.94
F7 P08709 10/20 0.94
F9 P00740 3/20 0.76

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
SCHEMBL6921523 1.00 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL20567697 1.00 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL15298962 0.97 F2 (1.00) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL16426767 0.92 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL17221962 0.91 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL17221964 0.91 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL6923243 0.90 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL17221954 0.89 F2 (0.88) F2F10PRSS1PRSS2PRSS3
SCHEMBL17221956 0.89 F2 (0.88) F2F10PRSS1PRSS2PRSS3
SCHEMBL17222132 0.88 F2 (1.00) F2F10PRSS1PRSS2PRSS3

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-20180340163-A1 RECOMBINANT SERINE PROTEASES ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2018-11-29 US disclosed
EP-2830624-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed