SCHEMBL4755883

SCHEMBL4755883

CNCC(CC1CCCCC1)N(C)C(=O)N(C)CC(=O)N(CCCNC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.41
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR5 P51681 2/20 0.34

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
SCHEMBL4753659 0.88 REN (0.42) RENALDH1A1GAAL3MBTL1
SCHEMBL499126 0.79 REN (0.53) REN
SCHEMBL499127 0.79 REN (0.53) REN
SCHEMBL3008220 0.72 REN (0.47) REN
SCHEMBL499055 0.68 REN (0.55) REN
SCHEMBL499056 0.68 REN (0.55) REN
SCHEMBL4755115 0.67 SLC6A9 (0.37) RENALDH1A1GAAL3MBTL1RAB9A
SCHEMBL3004738 0.65 REN (0.55) REN
SCHEMBL2998864 0.65 REN (0.55) REN
SCHEMBL499549 0.64 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed