SCHEMBL2392353

SCHEMBL2392353

COc1cc(F)ccc1-c1ccc2c(c1COC(=O)c1ccc(Br)s1)C(C)=CC(C)(C)N2.COc1cc(F)ccc1-c1ccc2c(c1COC(=O)c1sccc1C)C(C)=CC(C)(C)N2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.36
PGR P06401 10/20 0.36
AR P10275 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NR3C2 P08235 2/20 0.36
IL6 P05231 2/20 0.35

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
SCHEMBL2395395 0.93 PGR (0.41) NR3C1PGRARESR1ESR2
SCHEMBL2393484 0.92 NR3C1 (0.41) NR3C1PGRARESR1ESR2
SCHEMBL1830541 0.85 PGR (0.41) NR3C1PGRARNR3C2
SCHEMBL2393691 0.85 NR3C1 (0.42) NR3C1PGRARESR1ESR2
SCHEMBL2393346 0.84 NR3C1 (0.40) NR3C1PGRARESR1ESR2
SCHEMBL2393706 0.84 NR3C1 (0.41) NR3C1PGRARESR1ESR2
SCHEMBL450303 0.84 NR3C1 (0.43) NR3C1PGRARESR1ESR2
SCHEMBL2393926 0.84 PGR (0.42) NR3C1PGRARESR1ESR2
SCHEMBL2393962 0.84 PGR (0.41) NR3C1PGRARESR1ESR2
SCHEMBL5032323 0.83 PGR (0.41) NR3C1PGRARESR1ESR2

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
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US claimed