SCHEMBL6214732

SCHEMBL6214732

Nc1nc2c(s1)CC(NC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.56
F10 P00742 5/20 0.56
SCN3A Q9NY46 3/20 0.49
SCN9A Q15858 3/20 0.45
SCN4A P35499 3/20 0.44
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL6095270 1.00 F2 (0.56) F2F10SCN3ASCN9ASCN4A
SCHEMBL6094164 0.88 F2 (0.55) F2F10SCN3ASCN9ASCN4A
SCHEMBL6178965 0.86 F2 (0.48) F2F10SCN3ASCN9ASCN4A
SCHEMBL6093799 0.80 SCN4A (0.54) F2F10SCN3ASCN4A
SCHEMBL5795151 0.78 SCN3A (0.67) F2F10SCN3ASCN9ASCN4A
SCHEMBL6094669 0.74 SCN4A (0.48) F2F10SCN3ASCN4A
SCHEMBL6094815 0.73 SCN4A (0.51) F2F10SCN3ASCN4A
SCHEMBL6977641 0.73 F2 (0.53) F2F10SCN3ASCN9ASCN4A
SCHEMBL6094155 0.72 CYP2D6 (0.47) F2F10
SCHEMBL4420061 0.72 F2 (1.00) F2F10

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