SCHEMBL4755115

SCHEMBL4755115

CNCC(C)N(C(=O)c1cccc(N(CCCNC(=O)O)c2cccc(Cl)c2)c1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.37
SLC6A5 Q9Y345 1/20 0.37
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSD11B1 P28845 3/20 0.34
REN P00797 5/20 0.34
MTNR1A P48039 1/20 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
SCHEMBL4753058 0.92 REN (0.41) SLC6A9SLC6A5MEN1KMT2ANPC1
SCHEMBL3008220 0.80 REN (0.47) REN
SCHEMBL3645188 0.80 REN (0.41) SLC6A9SLC6A5NPC1RAB9AL3MBTL1
SCHEMBL4755120 0.77 NPC1 (0.41) TMEM97SIGMAR1NPC1RAB9AL3MBTL1
SCHEMBL3646290 0.73 REN (0.48) SLC6A9SLC6A5MEN1KMT2AREN
SCHEMBL3644844 0.73 REN (0.48) SLC6A9SLC6A5MEN1KMT2AREN
SCHEMBL3004738 0.72 REN (0.55) REN
SCHEMBL2998864 0.72 REN (0.55) REN
SCHEMBL4755808 0.72 REN (0.48) REN
SCHEMBL4755175 0.72 REN (0.48) 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-2008156828-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed