SCHEMBL12956586

SCHEMBL12956586

C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2CCc1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.67
GLUL P15104 4/20 0.67

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
SCHEMBL13581524 0.95 NR3C1 (0.69) NR3C1GLUL
SCHEMBL14261416 0.87 NR3C1 (0.71) NR3C1GLUL
SCHEMBL12956267 0.87 NR3C1 (0.71) NR3C1GLUL
SCHEMBL13581547 0.85 NR3C1 (0.65) NR3C1GLUL
SCHEMBL14399207 0.84 NR3C1 (0.61) NR3C1GLUL
SCHEMBL13581530 0.83 NR3C1 (0.62) NR3C1GLUL
SCHEMBL13581548 0.82 NR3C1 (0.73) NR3C1GLUL
SCHEMBL12956461 0.82 NR3C1 (0.73) NR3C1GLUL
SCHEMBL12956459 0.82 NR3C1 (0.73) NR3C1GLUL
SCHEMBL14091710 0.82 NR3C1 (0.71) NR3C1GLUL

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-1496892-B1 1H-BENZO(F)INDAZOL-5-YL DERIVATIVES AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-01-26 EP disclosed