SCHEMBL9943327

SCHEMBL9943327

Cc1cc(C)c(C[C@@H](COc2ccc3c(cnn3-c3ccc(F)cc3)c2)NC(=O)C2(C)CC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.50
SMO Q99835 2/20 0.45
PGR P06401 2/20 0.43

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
SCHEMBL9943272 0.81 NR3C1 (0.57) NR3C1SMOPGR
SCHEMBL837680 0.78 NR3C1 (0.58) NR3C1PGR
SCHEMBL837679 0.78 NR3C1 (0.58) NR3C1PGR
SCHEMBL12804966 0.78 NR3C1 (0.56) NR3C1PGR
SCHEMBL9943265 0.76 NR3C1 (0.50) NR3C1SMOPGR
SCHEMBL837689 0.76 NR3C1 (0.64) NR3C1PGR
SCHEMBL3806403 0.76 NR3C1 (0.64) NR3C1PGR
SCHEMBL837690 0.76 NR3C1 (0.64) NR3C1PGR
SCHEMBL833453 0.75 NR3C1 (0.58) NR3C1PGR
SCHEMBL4226242 0.75 NR3C1 (0.58) NR3C1PGR

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-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed