SCHEMBL65431

SCHEMBL65431

COCOCC1C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)C(=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.49
SLC6A4 P31645 5/20 0.40
KCNH2 Q12809 4/20 0.40
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
GHSR Q92847 1/20 0.35

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
SCHEMBL65432 1.00 REN (0.49) RENSLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL78797 0.90 REN (0.52) RENSLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL64231 0.78 REN (0.42) RENCYP3A4
SCHEMBL64232 0.78 REN (0.42) RENCYP3A4
SCHEMBL65631 0.77 REN (0.45) RENCYP3A4
SCHEMBL65630 0.77 REN (0.45) RENCYP3A4
SCHEMBL3111265 0.77 REN (0.52) RENSLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL65940 0.77 REN (0.40) RENSLC6A4CYP3A4
SCHEMBL65658 0.77 REN (0.41) RENCYP3A4
SCHEMBL65939 0.77 REN (0.40) RENSLC6A4CYP3A4

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed