SCHEMBL6450427

SCHEMBL6450427

CCOC(=O)CN(C(=O)C(Cc1cc2c(N)nccc2s1)NS(=O)(=O)c1ccc2ccc(OC)cc2c1)C1CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.66
PRSS1 P07477 9/20 0.66
F10 P00742 1/20 0.41

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
Hydrochloric Acid SCHEMBL6450426 0.99 F2 (0.66) F2PRSS1F10
SCHEMBL6470407 0.84 F2 (0.77) F2PRSS1F10
Hydrochloric Acid SCHEMBL6450704 0.83 F2 (0.76) F2PRSS1F10
Hydrochloric Acid SCHEMBL7708448 0.80 F2 (0.68) F2PRSS1
Hydrochloric Acid SCHEMBL6455796 0.80 F2 (0.86) F2PRSS1
Hydrochloric Acid SCHEMBL6452736 0.79 F2 (0.99) F2PRSS1F10
Hydrochloric Acid SCHEMBL6454532 0.79 F2 (0.87) F2PRSS1F10
Hydrochloric Acid SCHEMBL6454490 0.78 F2 (0.99) F2PRSS1F10
Hydrochloric Acid SCHEMBL6453121 0.78 F2 (0.99) F2PRSS1F10
Hydrochloric Acid SCHEMBL6450472 0.77 F2 (0.99) F2PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed