SCHEMBL6182388

SCHEMBL6182388

CC(C)(C)N(C(=O)O)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.43
SCN3A Q9NY46 1/20 0.43
F2 P00734 16/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 5/20 0.38
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36

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
SCHEMBL6184253 0.89 SCN4A (0.41) F2PDGFRBKDRDRD2DRD3
Hydrochloric Acid SCHEMBL6094528 0.85 F2 (0.46) SCN5ASCN3AF2F10PRSS1
SCHEMBL6179624 0.85 F2 (0.41) SCN5ASCN3AF2PRSS1
SCHEMBL6094199 0.84 F2 (0.46) SCN5ASCN3AF2F10PRSS1
SCHEMBL6094023 0.76 F2 (0.52) SCN5ASCN3AF2F10PRSS1
SCHEMBL6219378 0.76 F2 (0.52) SCN5ASCN3AF2F10PRSS1
SCHEMBL6181602 0.75 SCN4A (0.61) SCN5ASCN3AF2F10
SCHEMBL6180789 0.75 SCN4A (0.40) F2PDGFRBKDRDRD2DRD3
SCHEMBL6178343 0.75 SCN4A (0.40) F2PDGFRBKDRDRD2DRD3
SCHEMBL6094898 0.74 F2 (0.50) SCN5ASCN3AF2F10PRSS1

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