SCHEMBL1040070

SCHEMBL1040070

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](OC[C@@H](O)COC)[C@@H]3c3ccc(COC[C@@H](C)COC)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.33
BACE1 P56817 1/20 0.32
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL3950609 0.92 REN (0.35) REN
SCHEMBL3940945 0.92 REN (0.35) REN
SCHEMBL3950614 0.92 REN (0.35) REN
SCHEMBL1039349 0.91 AXL (0.39) RENAXLMERTKPRMT5WDR77
SCHEMBL4582076 0.90 REN (0.35) REN
SCHEMBL4582074 0.90 REN (0.35) REN
SCHEMBL4582155 0.90 REN (0.32) REN
SCHEMBL4582159 0.90 REN (0.32) REN
SCHEMBL1040450 0.89 REN (0.34) RENBACE1AXLMERTK
SCHEMBL1037897 0.89 BACE1 (0.31) RENBACE1AXLMERTK

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-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed