SCHEMBL1911411

SCHEMBL1911411

CCc1cc(F)c(N(C(=O)[C@@H]2CCCNC2)C2CC2)cc1OCCCOC

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.54
KCNH2 Q12809 2/20 0.53

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
SCHEMBL1911408 0.90 REN (0.55) RENKCNH2
SCHEMBL89592 0.81 REN (0.57) RENKCNH2
SCHEMBL90279 0.81 REN (0.57) RENKCNH2
SCHEMBL90364 0.81 REN (0.54) RENKCNH2
SCHEMBL89534 0.80 REN (0.75) RENKCNH2
SCHEMBL90392 0.79 REN (0.56) RENKCNH2
SCHEMBL8235958 0.78 REN (0.72) RENKCNH2
SCHEMBL90047 0.77 REN (0.87) RENKCNH2
SCHEMBL10282959 0.77 REN (0.59) REN
SCHEMBL1911386 0.76 REN (0.56) 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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed