SCHEMBL29880596

SCHEMBL29880596

CC(C)NC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1ccccc21

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.77
ESR1 P03372 1/20 0.63
NR3C1 P04150 1/20 0.63
PGR P06401 1/20 0.63
NR3C2 P08235 1/20 0.63
AR P10275 1/20 0.63

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
SCHEMBL3733936 1.00 NR1H4 (0.77) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL3726740 0.92 NR1H4 (0.68) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL3729658 0.90 NR1H4 (0.78) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4309430 0.86 NR1H4 (0.76) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL3733938 0.85 NR1H4 (0.72) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL3725906 0.85 NR1H4 (0.79) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL29880651 0.85 NR1H4 (0.79) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL273965 0.83 NR1H4 (1.00) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL29880776 0.83 NR1H4 (1.00) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL274804 0.81 NR1H4 (0.76) NR1H4ESR1NR3C1PGRNR3C2

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
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed