SCHEMBL6178965

SCHEMBL6178965

Nc1nc2c(s1)CC(NC(O)CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.48
F10 P00742 4/20 0.48
SCN3A Q9NY46 3/20 0.45
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
SCN9A Q15858 3/20 0.40
SCN4A P35499 3/20 0.40
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6214732 0.86 F2 (0.56) F2F10SCN3AHRH2HRH1
SCHEMBL6095270 0.86 F2 (0.56) F2F10SCN3AHRH2HRH1
SCHEMBL6094164 0.82 F2 (0.55) F2F10SCN3AHRH2HRH1
SCHEMBL6093799 0.76 SCN4A (0.54) F2F10SCN3ASCN4A
SCHEMBL6094669 0.70 SCN4A (0.48) F2F10SCN3ASCN4A
SCHEMBL6094815 0.70 SCN4A (0.51) F2F10SCN3ASCN4A
SCHEMBL6977641 0.69 F2 (0.53) F2F10SCN3AHRH2HRH1
SCHEMBL5795151 0.69 SCN3A (0.67) F2F10SCN3AHRH2HRH1
SCHEMBL6094499 0.66 SCN3A (0.54) F2F10SCN3AHRH2HRH1
SCHEMBL4420061 0.65 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