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SCHEMBL7306094

SCHEMBL7306094

CC(=O)ON(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 17/20 0.56
▸ TRPA1 O75762 3/20 0.44

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
SCHEMBL8717123 1.00 F2 (0.56) F2TRPA1
SCHEMBL8719901 0.94 F2 (0.56) F2
SCHEMBL7298177 0.88 F2 (0.58) F2TRPA1
SCHEMBL8716561 0.84 F2 (0.61) F2
SCHEMBL7302895 0.83 F2 (0.58) F2
SCHEMBL8927436 0.83 F2 (0.41) F2
SCHEMBL7294190 0.80 F2 (0.55) F2
SCHEMBL8717201 0.78 F2 (0.56) F2
SCHEMBL8717330 0.78 F2 (0.61) F2
SCHEMBL8947654 0.76 F2 (0.55) 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 1 patent. 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 claimed