SCHEMBL7295658

SCHEMBL7295658

CCOC(=O)NC(=N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccccc2C(=O)O)C(=O)N(CCC(=O)O)C2CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.46
ALDH1A1 P00352 1/20 0.35
ACKR3 P25106 1/20 0.33

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
SCHEMBL7293781 0.96 F2 (0.46) F2ALDH1A1
SCHEMBL8947587 0.91 F2 (0.46) F2ALDH1A1
SCHEMBL8947542 0.87 F2 (0.40) F2ALDH1A1
SCHEMBL9164171 0.84 F2 (0.54) F2
SCHEMBL8947624 0.83 F2 (0.44) F2ALDH1A1
SCHEMBL8947601 0.83 F2 (0.62) F2
SCHEMBL8947742 0.83 F2 (0.41) F2ALDH1A1
SCHEMBL8947637 0.81 F2 (0.62) F2
SCHEMBL7306645 0.78 F2 (0.41) F2ALDH1A1
SCHEMBL7393159 0.77 F2 (0.41) F2

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-0559046-B1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed