SCHEMBL1040450

SCHEMBL1040450

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
RORC P51449 6/20 0.33
BACE1 P56817 2/20 0.33
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
USP30 Q70CQ3 2/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL1039408 0.93 AXL (0.39) RENRORCBACE1AXLMERTK
SCHEMBL1040446 0.91 REN (0.36) RENRORC
SCHEMBL1040445 0.91 REN (0.36) RENRORC
SCHEMBL1040068 0.91 RORC (0.33) RENRORCBACE1AXLMERTK
SCHEMBL1040564 0.91 REN (0.32) RENRORCBACE1AXLMERTK
SCHEMBL1040426 0.90 REN (0.35) RENBACE1AXLMERTKUSP30
SCHEMBL1040070 0.89 REN (0.33) RENBACE1AXLMERTK
SCHEMBL1036445 0.88 AXL (0.37) RENRORCBACE1AXLMERTK
SCHEMBL1036694 0.86 REN (0.36) RENRORC
SCHEMBL4534784 0.86 REN (0.36) RENRORC

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