SCHEMBL27724717

SCHEMBL27724717

Cc1ccc(-n2ncc3cc(C(C)(O)F)ccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.70
CYP11B1 P15538 4/20 0.60
CYP11B2 P19099 4/20 0.60

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
SCHEMBL27724614 0.89 NR3C1 (0.81) NR3C1CYP11B1CYP11B2
SCHEMBL28769263 0.88 NR3C1 (0.62) NR3C1CYP11B1CYP11B2
SCHEMBL4279962 0.83 NR3C1 (0.83) NR3C1CYP11B1CYP11B2
SCHEMBL1362907 0.80 NR3C1 (0.82) NR3C1CYP11B1CYP11B2
SCHEMBL27704087 0.79 NR3C1 (0.58) NR3C1CYP11B1CYP11B2
SCHEMBL4285068 0.79 NR3C1 (0.84) NR3C1CYP11B1CYP11B2
SCHEMBL4761721 0.79 NR3C1 (0.77) NR3C1CYP11B1CYP11B2
SCHEMBL13486145 0.79 NR3C1 (0.61) NR3C1CYP11B1CYP11B2
SCHEMBL4287972 0.78 NR3C1 (0.68) NR3C1CYP11B1CYP11B2
SCHEMBL4719472 0.77 CYP11B1 (0.60) NR3C1CYP11B1CYP11B2

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
CN-101193869-B Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMA 2011-03-02 CN disclosed
CN-101193869-A Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-04 CN disclosed