SCHEMBL10282961

SCHEMBL10282961

COCCCOc1cc(CN(C(=O)C2CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NC(CC(C)C)CC(C)C)[C@H]2O)C2CC2)cc2c1CCCO2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.37
PDE4B Q07343 1/20 0.32
KCNH2 Q12809 2/20 0.31
TACR1 P25103 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL15087907 1.00 REN (0.37) RENPDE4BKCNH2TACR1NR1H4
SCHEMBL90158 1.00 REN (0.37) RENPDE4BKCNH2TACR1NR1H4
SCHEMBL90379 0.95 REN (0.45) RENKCNH2
SCHEMBL90743 0.90 PDE4B (0.39) RENPDE4BKCNH2TACR1NR1H4
SCHEMBL90515 0.89 REN (0.38) RENKCNH2NR1H4
SCHEMBL90684 0.89 REN (0.37) RENPDE4BKCNH2TACR1NR1H4
SCHEMBL1911419 0.87 REN (0.34) RENPDE4B
SCHEMBL89775 0.87 REN (0.34) RENPDE4B
SCHEMBL89785 0.86 REN (0.42) RENKCNH2NR1H4
SCHEMBL90157 0.86 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