SCHEMBL1036445

SCHEMBL1036445

COCCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)CCO4)CN(C(=O)OC(C)(C)C)C[C@H]2OC[C@@H](C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
REN P00797 2/20 0.34
PDE4B Q07343 1/20 0.34
USP30 Q70CQ3 1/20 0.33
RORC P51449 5/20 0.33
GPR119 Q8TDV5 4/20 0.32
BACE1 P56817 1/20 0.32
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL1040276 0.91 REN (0.36) RENRORC
SCHEMBL1040275 0.91 REN (0.36) RENRORC
SCHEMBL1039349 0.91 AXL (0.39) AXLMERTKRENPDE4BPRMT5
SCHEMBL1039408 0.91 AXL (0.39) AXLMERTKRENPDE4BRORC
SCHEMBL3905694 0.90 REN (0.36) RENRORC
SCHEMBL3905699 0.90 REN (0.36) RENRORC
SCHEMBL4583243 0.90 REN (0.36) RENRORCHRH2HRH1
SCHEMBL4583244 0.90 REN (0.36) RENRORCHRH2HRH1
SCHEMBL4583214 0.89 REN (0.33) RENRORC
SCHEMBL4583210 0.89 REN (0.33) 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