SCHEMBL1911393

SCHEMBL1911393

CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNCC(C(=O)N(c2cc(OCCCOC)c(C(C)C)cn2)C2CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 1.00
KCNH2 Q12809 5/20 0.78

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
SCHEMBL89968 1.00 REN (1.00) RENKCNH2
SCHEMBL90565 0.94 REN (0.88) RENKCNH2
SCHEMBL1911404 0.94 REN (0.88) RENKCNH2
SCHEMBL7864119 0.92 REN (1.00) RENKCNH2
SCHEMBL7864009 0.90 REN (1.00) RENKCNH2
SCHEMBL7858458 0.88 REN (1.00) RENKCNH2
SCHEMBL90342 0.87 REN (1.00) RENKCNH2
SCHEMBL89850 0.87 REN (1.00) RENKCNH2
SCHEMBL7865355 0.87 REN (1.00) RENKCNH2
SCHEMBL89385 0.85 REN (0.74) 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