SCHEMBL1037897

SCHEMBL1037897

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.31
REN P00797 1/20 0.31
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL3950265 0.92 REN (0.33) REN
SCHEMBL3950264 0.92 REN (0.33) REN
SCHEMBL1040506 0.91 AXL (0.38) RENAXLMERTK
SCHEMBL1040070 0.89 REN (0.33) BACE1RENAXLMERTK
SCHEMBL2254105 0.87 BACE1 (0.32) BACE1RENAXLMERTK
SCHEMBL2254103 0.87 BACE1 (0.32) BACE1RENAXLMERTK
SCHEMBL1040426 0.86 REN (0.35) BACE1RENAXLMERTK
SCHEMBL1498268 0.86 REN (0.33) BACE1RENAXLMERTK
SCHEMBL1498266 0.86 REN (0.33) BACE1RENAXLMERTK
SCHEMBL2252673 0.86 REN (0.32) BACE1RENAXLMERTK

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