SCHEMBL4784046

SCHEMBL4784046

C[C@@H](CCc1ccc2c(cnn2-c2ccc(F)cc2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMO Q99835 13/20 0.57
NR3C1 P04150 7/20 0.52
PGR P06401 1/20 0.47

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
SCHEMBL4738893 0.88 SMO (0.47) SMONR3C1
SCHEMBL27721784 0.82 NR3C1 (0.56) NR3C1PGR
SCHEMBL4123094 0.82 NR3C1 (0.56) NR3C1PGR
SCHEMBL4853828 0.77 SMO (0.59) SMONR3C1PGR
SCHEMBL1360978 0.74 SMO (0.66) SMONR3C1
SCHEMBL4737912 0.73 NR3C1 (0.72) SMONR3C1PGR
SCHEMBL1361796 0.73 SMO (0.66) SMONR3C1
SCHEMBL1360932 0.70 SMO (0.61) SMONR3C1PGR
SCHEMBL995999 0.69 LIPG (0.45)
SCHEMBL24282902 0.69 SMO (0.46) SMONR3C1PGR

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
WO-2008079073-A1 INDAZOLYL SULPHONAMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-07-03 WO disclosed