SCHEMBL3814256

SCHEMBL3814256

COc1cccc(C[C@@H](COc2ccc3c(cnn3-c3ccc(F)cc3)c2)NC(=O)CNC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.52
PGR P06401 2/20 0.52
SMO Q99835 2/20 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
SCHEMBL4330705 0.83 NR3C1 (0.49) NR3C1PGRSMO
SCHEMBL4216751 0.83 PIN1 (0.50) NR3C1PGR
SCHEMBL836090 0.80 NR3C1 (0.77) NR3C1PGR
SCHEMBL836089 0.80 NR3C1 (0.77) NR3C1PGR
SCHEMBL12805643 0.79 NR3C1 (0.56) NR3C1PGRSMO
SCHEMBL4325784 0.76 NR3C1 (0.68) NR3C1PGRSMO
SCHEMBL4456539 0.76 NR3C1 (0.52) NR3C1PGRSMO
SCHEMBL12805049 0.76 NR3C1 (0.59) NR3C1PGRSMO
SCHEMBL3583710 0.75 NR3C1 (0.51) NR3C1PGRSMO
SCHEMBL3583714 0.75 NR3C1 (0.51) NR3C1PGRSMO

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
WO-2009142588-A1 COMBINATION OF (A) A CHEMOKINE RECEPTOR 1 (CCR1) ANTAGONIST AND (B) GLUCOCORTICOID RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2009-11-26 WO disclosed
WO-2009142589-A1 COMBINATION OF (A) GLUCOCORTICOID RECEPTOR MODULATOR AND (B) A MUSCARINIC ANTAGONIST ASTRAZENECA AB (SE) 2009-11-26 WO disclosed