SCHEMBL4970049

SCHEMBL4970049

CCCCOC(=O)N1CCCC([C@@](CCC)(OCCN)c2cccc(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.42
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 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
SCHEMBL3613375 0.89 REN (0.41) REN
SCHEMBL3613379 0.89 REN (0.41) REN
SCHEMBL4971952 0.89 REN (0.42) RENSCN5ASCN9A
SCHEMBL27737826 0.89 REN (0.42) RENSCN5ASCN9A
SCHEMBL4976075 0.89 REN (0.41) RENSCN5ASCN9A
SCHEMBL4971136 0.85 REN (0.38) RENSCN5ASCN9A
SCHEMBL3613911 0.81 REN (0.42) REN
SCHEMBL3613909 0.81 REN (0.42) REN
SCHEMBL5515427 0.79 REN (0.65) REN
SCHEMBL3612250 0.78 STS (0.41) REN

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-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed