SCHEMBL8235848

SCHEMBL8235848

CCCC[C@@H](CC(C)C)NC(=O)[C@H]1C[C@@H](C(=O)N(c2cc(OCCCOC)c(CC)cc2F)C2CC2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.54
KCNH2 Q12809 5/20 0.54
USP30 Q70CQ3 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL90289 0.92 REN (0.65) RENKCNH2
SCHEMBL90716 0.88 REN (0.55) RENKCNH2
SCHEMBL90282 0.86 REN (0.64) RENKCNH2
SCHEMBL89927 0.86 REN (0.75) RENKCNH2
SCHEMBL8235958 0.86 REN (0.72) RENKCNH2
SCHEMBL89881 0.85 REN (0.44) RENKCNH2USP30DPP4
SCHEMBL90725 0.83 REN (0.42) RENKCNH2USP30DPP4
SCHEMBL89546 0.83 REN (0.42) RENKCNH2DPP4
SCHEMBL90178 0.82 REN (0.41) RENKCNH2USP30DPP4
SCHEMBL89844 0.82 REN (0.55) 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
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed