SCHEMBL4756982

SCHEMBL4756982

CNCC(CC1CCCCC1)NC(=O)N(C)CCC(OCCNC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.55
CYP3A4 P08684 3/20 0.55

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
SCHEMBL499549 1.00 REN (0.55) RENCYP3A4
SCHEMBL3340010 1.00 REN (0.55) RENCYP3A4
SCHEMBL10253830 0.93 REN (0.63) RENCYP3A4
SCHEMBL8082213 0.93 REN (0.63) RENCYP3A4
SCHEMBL4789559 0.93 REN (0.55) RENCYP3A4
SCHEMBL499077 0.93 REN (0.55) RENCYP3A4
SCHEMBL4788157 0.92 REN (0.55) RENCYP3A4
SCHEMBL499082 0.92 REN (0.55) RENCYP3A4
SCHEMBL499041 0.92 REN (0.55) RENCYP3A4
SCHEMBL4753688 0.91 REN (0.57) 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-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO claimed