SCHEMBL6181602

SCHEMBL6181602

CC(C)(C)N(C(=O)O)[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCc2nc(N)sc2C1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 5/20 0.61
SCN3A Q9NY46 5/20 0.46
SCN5A Q14524 2/20 0.45
SCN9A Q15858 4/20 0.42
F2 P00734 4/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL6180060 0.86 SCN4A (0.61) SCN4ASCN3ASCN5ASCN9AF2
Hydrochloric Acid SCHEMBL6092452 0.85 SCN4A (0.60) SCN4ASCN3ASCN5ASCN9AF2
SCHEMBL6184253 0.84 SCN4A (0.41) SCN4AF2
SCHEMBL6093257 0.84 SCN4A (0.58) SCN4ASCN3ASCN5ASCN9AF2
SCHEMBL6180622 0.82 SCN4A (0.39) SCN4AF2
SCHEMBL6178104 0.82 SCN4A (0.39) SCN4AF2
SCHEMBL6179403 0.79 SCN4A (0.60) SCN4ASCN3ASCN5ASCN9AF2
Hydrochloric Acid SCHEMBL6094258 0.78 SCN4A (0.59) SCN4ASCN3ASCN5ASCN9AF2
SCHEMBL6092937 0.77 SCN4A (0.57) SCN4ASCN3ASCN5ASCN9AF2
SCHEMBL6093903 0.75 SCN4A (0.61) SCN4ASCN3ASCN5ASCN9AF2

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-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP claimed