SCHEMBL6440430

SCHEMBL6440430

CC(C)(C)OC(=O)NC(Cc1cn(C=O)c2ccccc12)C(=O)N1CCCC1C(=O)NCc1cc2c(N)nccc2s1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.43
PRSS1 P07477 1/20 0.43
F11 P03951 3/20 0.41
REN P00797 1/20 0.39
CMA1 P23946 11/20 0.39
CTRC Q99895 3/20 0.39
ACE P12821 1/20 0.36

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
SCHEMBL6440436 1.00 F2 (0.43) F2PRSS1F11RENCMA1
SCHEMBL6438997 0.87 HDAC1 (0.48)
SCHEMBL6439001 0.87 HDAC1 (0.48)
SCHEMBL6435982 0.84 F2 (0.47) F2PRSS1F11CMA1CTRC
SCHEMBL6438590 0.84 F2 (0.46) F2PRSS1F11CMA1CTRC
SCHEMBL6438586 0.84 F2 (0.46) F2PRSS1F11CMA1CTRC
SCHEMBL6435980 0.84 F2 (0.47) F2PRSS1F11CMA1CTRC
SCHEMBL6435727 0.83 F2 (0.45) F2PRSS1F11CMA1CTRC
SCHEMBL6435731 0.83 F2 (0.45) F2PRSS1F11CMA1CTRC
SCHEMBL6438912 0.82 KCNH2 (0.45) F2PRSS1F11CMA1

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
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed