SCHEMBL7470295

SCHEMBL7470295

CC(C)(C)OC(=O)N1CC=CCC1(C)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PREP P48147 1/20 0.32
RORC P51449 1/20 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
SCHEMBL2872145 0.74 MAPK1 (0.33) NR1H2NR1H3
SCHEMBL2494815 0.74 PREP (0.39) NR1H2NR1H3PREPRORC
SCHEMBL25870113 0.70 PREP (0.38) NR1H2PREP
SCHEMBL24700390 0.68 NR1H2 (0.35) NR1H2NR1H3RORC
SCHEMBL16040768 0.68 NR1H2 (0.35) NR1H2NR1H3RORC
SCHEMBL2495889 0.66 CYP3A4 (0.60) NR1H2NR1H3PREP
SCHEMBL28704785 0.66 CYP3A4 (0.60) NR1H2NR1H3PREP
SCHEMBL3390628 0.66 PREP (0.37) NR1H2NR1H3PREP
SCHEMBL31571841 0.65 STS (0.31) NR1H2NR1H3RORC
SCHEMBL25295364 0.65 NR1H2 (0.35) NR1H2NR1H3RORC

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-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed