SCHEMBL16312972

SCHEMBL16312972

C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2OC(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.61
▸ PGR P06401 1/20 0.61
▸ GLUL P15104 1/20 0.59

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
SCHEMBL13581528 0.86 NR3C1 (0.64) NR3C1PGRGLUL
SCHEMBL12917991 0.82 NR3C1 (0.59) NR3C1PGRGLUL
SCHEMBL12956264 0.80 NR3C1 (0.69) NR3C1PGRGLUL
SCHEMBL12956411 0.79 NR3C1 (0.67) NR3C1PGRGLUL
SCHEMBL12956258 0.77 NR3C1 (0.68) NR3C1PGRGLUL
SCHEMBL13581527 0.77 NR3C1 (0.65) NR3C1PGRGLUL
SCHEMBL13581529 0.77 NR3C1 (0.61) NR3C1PGRGLUL
SCHEMBL12956338 0.77 NR3C1 (0.75) NR3C1PGR
SCHEMBL12956172 0.76 NR3C1 (0.67) NR3C1PGRGLUL
SCHEMBL12956574 0.76 NR3C1 (0.65) NR3C1PGRGLUL

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-1617806-B1 SELECTIVE SPIROCYCLIC GLUCOCORTICOID RECEPTOR MODULATORS MERCK & CO INC (US) 2009-11-04 — — EP disclosed
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