SCHEMBL28779405

SCHEMBL28779405

NC(=O)OC(=O)CCC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.39
CHEK1 O14757 4/20 0.38
CDK2AP1 O14519 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 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
SCHEMBL9996630 0.90 REN (0.42) RENCHEK1CDK2AP1SCN5ASCN9A
SCHEMBL3616993 0.90 REN (0.42) RENCHEK1CDK2AP1SCN5ASCN9A
SCHEMBL4752797 0.82 KIF11 (0.46) RENCHEK1CDK2AP1
SCHEMBL3605975 0.82 REN (0.45) REN
SCHEMBL3605969 0.82 REN (0.45) REN
SCHEMBL28787499 0.82 REN (0.53) RENCHEK1CDK2AP1SCN5ASCN9A
SCHEMBL3613977 0.82 REN (0.42) RENSCN5ASCN9A
SCHEMBL3610057 0.82 REN (0.42) RENSCN5ASCN9A
SCHEMBL1866028 0.81 REN (0.46) REN
SCHEMBL1866030 0.81 REN (0.46) 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
CN-101356156-B Aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2012-12-05 CN disclosed
CN-101356156-A Aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2009-01-28 CN disclosed