SCHEMBL27709552

SCHEMBL27709552

CCCC(=O)NCCCC(O)(c1cccc(Cl)c1)[C@@H]1CCCNC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.57
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL1863979 1.00 REN (0.57) RENEPHX2L3MBTL1SCN5ASCN9A
SCHEMBL1863977 1.00 REN (0.57) RENEPHX2L3MBTL1SCN5ASCN9A
SCHEMBL27689840 0.93 REN (0.56) REN
SCHEMBL1862226 0.93 REN (0.56) REN
SCHEMBL1862228 0.93 REN (0.56) REN
SCHEMBL9996394 0.89 REN (0.47) REN
SCHEMBL9996391 0.89 REN (0.47) REN
SCHEMBL1860879 0.89 REN (0.55) REN
SCHEMBL27689735 0.89 REN (0.55) REN
SCHEMBL1860876 0.89 REN (0.55) 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-101072561-B Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2011-05-11 CN disclosed
CN-101072561-A Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2007-11-14 CN disclosed