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SCHEMBL4582750

SCHEMBL4582750

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.36
▸ HRH2 P25021 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ RORC P51449 8/20 0.33
▸ SLC6A4 P31645 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ PIK3CD O00329 3/20 0.30
▸ PIK3CA P42336 3/20 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
SCHEMBL4582751 1.00 REN (0.36) RENHRH2HRH1RORCSLC6A4
SCHEMBL4583244 0.95 REN (0.36) RENHRH2HRH1RORCSLC6A4
SCHEMBL4583243 0.95 REN (0.36) RENHRH2HRH1RORCSLC6A4
SCHEMBL4584015 0.95 REN (0.36) RENHRH2HRH1RORC
SCHEMBL4584012 0.95 REN (0.36) RENHRH2HRH1RORC
SCHEMBL4582658 0.93 HRH2 (0.35) RENHRH2HRH1RORC
SCHEMBL8459461 0.93 HRH2 (0.35) RENHRH2HRH1RORC
SCHEMBL4582662 0.93 HRH2 (0.35) RENHRH2HRH1RORC
SCHEMBL4583722 0.92 REN (0.36) RENRORC
SCHEMBL4583718 0.92 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 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-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