SCHEMBL4582715

SCHEMBL4582715

CCc1ccc(Oc2ccc([C@H]3[C@H](O)CN(C(=O)[C@@H](N)[C@@H](C)CC)C[C@@H]3OCc3ccc4c(c3)N(CCCOC)CCO4)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.37
RORC P51449 3/20 0.32
BTK Q06187 1/20 0.31
DPP4 P27487 2/20 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
SCHEMBL8459711 1.00 REN (0.37) RENRORCBTKDPP4
SCHEMBL4583875 0.96 REN (0.38) RENRORC
SCHEMBL4583879 0.96 REN (0.38) RENRORC
SCHEMBL4583863 0.94 REN (0.37) RENRORCDPP4
SCHEMBL4582446 0.94 REN (0.39) RENRORC
SCHEMBL4582451 0.94 REN (0.39) RENRORC
SCHEMBL4583247 0.91 REN (0.37) RENRORCBTK
SCHEMBL4583250 0.91 REN (0.37) RENRORCBTK
SCHEMBL8459614 0.91 REN (0.37) RENRORCBTK
SCHEMBL8471522 0.89 REN (0.37) 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 3 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
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed