SCHEMBL1036447

SCHEMBL1036447

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.33
RORC P51449 5/20 0.32
GRM5 P41594 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
SCHEMBL1036449 1.00 REN (0.33) RENRORCGRM5
SCHEMBL1039410 0.91 RORC (0.34) RENRORC
SCHEMBL1039409 0.91 RORC (0.34) RENRORC
SCHEMBL1039352 0.91 REN (0.33) REN
SCHEMBL1039350 0.91 REN (0.33) REN
SCHEMBL1040451 0.88 REN (0.33) RENRORC
SCHEMBL1040452 0.88 REN (0.33) RENRORC
SCHEMBL1039533 0.87 RORC (0.33) RENRORC
SCHEMBL1039803 0.87 REN (0.34) REN
SCHEMBL1036295 0.87 REN (0.32) REN

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