SCHEMBL1040564

SCHEMBL1040564

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](OCC[C@H](C)O[N+](=O)[O-])[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.32
RORC P51449 2/20 0.31
BACE1 P56817 1/20 0.31
AXL P30530 1/20 0.30
MERTK Q12866 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
SCHEMBL3943934 0.92 REN (0.34) RENRORC
SCHEMBL3942602 0.92 REN (0.34) RENRORC
SCHEMBL3942604 0.92 REN (0.34) RENRORC
SCHEMBL1040068 0.91 RORC (0.33) RENRORCBACE1AXLMERTK
SCHEMBL1040450 0.91 REN (0.34) RENRORCBACE1AXLMERTK
SCHEMBL1036310 0.89 AXL (0.36) RENRORCAXLMERTK
SCHEMBL4540796 0.88 REN (0.38) RENRORC
SCHEMBL4540798 0.88 REN (0.38) RENRORC
SCHEMBL1040426 0.86 REN (0.35) RENBACE1AXLMERTK
SCHEMBL1039424 0.85 AXL (0.36) RENAXLMERTK

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