SCHEMBL1911367

SCHEMBL1911367

COCCCN1C(=O)C(C)(C)Cc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NC4(C5C=CN=CC5)CCCC4)C3)C3CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.39
KCNH2 Q12809 4/20 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
SCHEMBL89464 0.84 REN (0.41) RENKCNH2
SCHEMBL90566 0.79 REN (0.45) RENKCNH2
SCHEMBL1911379 0.78 REN (0.43) RENKCNH2
SCHEMBL89852 0.78 REN (0.56) RENKCNH2
SCHEMBL90127 0.74 REN (0.54) RENKCNH2
SCHEMBL89236 0.73 REN (0.53) RENKCNH2
SCHEMBL89693 0.73 REN (0.53) RENKCNH2
SCHEMBL89763 0.72 REN (0.52) RENKCNH2
SCHEMBL89467 0.72 REN (0.52) RENKCNH2
SCHEMBL89080 0.72 REN (0.51) RENKCNH2

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