SCHEMBL4753058

SCHEMBL4753058

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.41
CYP3A4 P08684 2/20 0.38
SLC6A9 P48067 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HSD11B1 P28845 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4755115 0.92 SLC6A9 (0.37) RENSLC6A9SLC6A5MTNR1AMTNR1B
SCHEMBL3644844 0.81 REN (0.48) RENCYP3A4SLC6A9SLC6A5MEN1
SCHEMBL3646290 0.81 REN (0.48) RENCYP3A4SLC6A9SLC6A5MEN1
SCHEMBL3004738 0.80 REN (0.55) RENCYP3A4
SCHEMBL2998864 0.80 REN (0.55) RENCYP3A4
SCHEMBL4755808 0.80 REN (0.48) RENCYP3A4
SCHEMBL4755175 0.80 REN (0.48) RENCYP3A4
SCHEMBL4753059 0.78 NPC1 (0.40) RENCYP3A4RAB9ANPC1
SCHEMBL3645188 0.74 REN (0.41) RENCYP3A4SLC6A9SLC6A5RAB9A
SCHEMBL3008220 0.72 REN (0.47) RENCYP3A4

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 claimed