SCHEMBL19826398

SCHEMBL19826398

COC(=O)NCCCc1cc([C@@H](C)N(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](CC#N)O2)C2(C)CC2)cc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.44
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL17005379 0.88 REN (0.58) REN
SCHEMBL17013196 0.81 REN (0.60) REN
SCHEMBL17013206 0.80 REN (0.59) REN
SCHEMBL17013200 0.80 REN (0.59) REN
SCHEMBL17012902 0.80 REN (0.59) REN
SCHEMBL17013199 0.80 REN (0.59) REN
SCHEMBL17005376 0.79 REN (0.58) REN
SCHEMBL17013198 0.79 REN (0.57) REN
SCHEMBL17013195 0.78 REN (0.56) REN
SCHEMBL17013201 0.76 REN (0.54) 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-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 — — EP disclosed
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