SCHEMBL4583368

SCHEMBL4583368

CC[C@H](C)[C@H](N)C(=O)N1C[C@H](OCc2ccc3c(c2)N(CCCOC)CCO3)[C@@H](c2ccc(COCCOC)cc2)[C@H](OCC(C)O)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.36
RORC P51449 3/20 0.32

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
SCHEMBL4583365 1.00 REN (0.36) RENRORC
SCHEMBL4583722 0.95 REN (0.36) RENRORC
SCHEMBL4583718 0.95 REN (0.36) RENRORC
SCHEMBL4582488 0.93 REN (0.36) RENRORC
SCHEMBL4582492 0.93 REN (0.36) RENRORC
SCHEMBL4584015 0.93 REN (0.36) RENRORC
SCHEMBL4584012 0.93 REN (0.36) RENRORC
SCHEMBL4582085 0.91 REN (0.35) REN
SCHEMBL4582084 0.91 REN (0.35) REN
SCHEMBL4583363 0.91 REN (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed