SCHEMBL6977641

SCHEMBL6977641

C[C@H](C(=O)NC1CCc2nc(N)sc2C1)[C@@](Cc1ccccc1)(NS(=O)(=O)Cc1ccccc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.53
F10 P00742 4/20 0.53
SCN3A Q9NY46 2/20 0.48
SCN4A P35499 2/20 0.44
SCN9A Q15858 2/20 0.43
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
HRH4 Q9H3N8 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL6094164 0.77 F2 (0.55) F2F10SCN3ASCN4ASCN9A
SCHEMBL6214732 0.73 F2 (0.56) F2F10SCN3ASCN4ASCN9A
SCHEMBL6095270 0.73 F2 (0.56) F2F10SCN3ASCN4ASCN9A
SCHEMBL4420061 0.69 F2 (1.00) F2F10
SCHEMBL6093799 0.68 SCN4A (0.54) F2F10SCN3ASCN4A
SCHEMBL3025573 0.67 SCN4A (0.62) SCN3ASCN4ASCN9AHRH2HRH1
SCHEMBL6094815 0.66 SCN4A (0.51) F2F10SCN3ASCN4A
SCHEMBL5810188 0.66 SCN4A (0.61) SCN3ASCN4ASCN9AHRH2HRH1
SCHEMBL5810193 0.66 SCN4A (0.61) SCN3ASCN4ASCN9AHRH2HRH1
SCHEMBL3435133 0.66 SCN4A (0.61) SCN3ASCN4ASCN9AHRH2HRH1

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
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO disclosed