SCHEMBL4552034

SCHEMBL4552034

CC[C@H](CNc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.49
SMO Q99835 1/20 0.45
AR P10275 2/20 0.45
PGR P06401 1/20 0.44

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
SCHEMBL3227153 0.77 SMO (0.53) NR3C1SMOARPGR
SCHEMBL4552036 0.76 NR3C1 (0.53) NR3C1SMOARPGR
SCHEMBL3848367 0.75 NR3C1 (0.57) NR3C1PGR
SCHEMBL3221497 0.75 NR3C1 (0.46) NR3C1SMOARPGR
SCHEMBL4566694 0.71 NR3C1 (0.62) NR3C1ARPGR
SCHEMBL3215358 0.71 NR3C1 (0.62) NR3C1ARPGR
SCHEMBL3203403 0.70 NR3C1 (0.49) NR3C1SMOARPGR
SCHEMBL3260372 0.70 NR3C1 (0.49) NR3C1SMOARPGR
SCHEMBL3592736 0.66 NR3C1 (1.00) NR3C1ARPGR
SCHEMBL28268066 0.66 CA2 (0.45)

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
EP-2136634-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP disclosed
WO-2008124665-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO disclosed