SCHEMBL8947678

SCHEMBL8947678

N=C(N)N1CCOC(CNC(=O)C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.46
TRPA1 O75762 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.36
EEF2K O00418 1/20 0.35

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
SCHEMBL8947690 1.00 F2 (0.46) F2TRPA1L3MBTL1EEF2K
SCHEMBL7298177 0.87 F2 (0.58) F2TRPA1
SCHEMBL8717393 0.86 F2 (0.48) F2TRPA1
SCHEMBL7302895 0.80 F2 (0.58) F2
SCHEMBL8947704 0.78 F2 (0.43) F2
SCHEMBL7297129 0.78 F2 (0.43) F2
SCHEMBL7300396 0.78 F2 (0.49) F2
Hydrochloric Acid SCHEMBL8947545 0.77 F2 (0.49) F2
SCHEMBL9002966 0.77 CYP1A2 (0.42) F2
SCHEMBL8947615 0.76 F2 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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