SCHEMBL13625582

SCHEMBL13625582

COCCCn1cc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)c2cc(F)ccc21

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.62
KCNH2 Q12809 1/20 0.50

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
SCHEMBL13131460 0.85 REN (0.84) REN
SCHEMBL13625579 0.84 REN (0.67) RENKCNH2
SCHEMBL13625578 0.81 REN (0.67) RENKCNH2
SCHEMBL12764136 0.81 REN (0.83) RENKCNH2
SCHEMBL1518243 0.81 REN (0.83) RENKCNH2
SCHEMBL1518240 0.81 REN (0.83) RENKCNH2
SCHEMBL1518242 0.81 REN (0.83) RENKCNH2
SCHEMBL12837209 0.81 REN (0.83) RENKCNH2
SCHEMBL13376295 0.79 REN (0.68) RENKCNH2
SCHEMBL13131468 0.79 REN (0.84) 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-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO disclosed