SCHEMBL1680244

SCHEMBL1680244

CC(C)(CC(N)(Cc1cc(Cl)nc(Cl)c1)C(F)(F)F)c1cccc2ccoc12.Cc1c(CC(N)(CC(C)(C)c2ccc(F)cc2)C(F)(F)F)[nH]c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.37
PGR P06401 7/20 0.37
CYP3A4 P08684 4/20 0.37
NR3C2 P08235 8/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL291983 0.81 NR3C1 (0.31) NR3C1PGRNR3C2
SCHEMBL291171 0.79 NR3C1 (0.40) NR3C1PGRCYP3A4NR3C2
SCHEMBL292426 0.72 NR3C1 (0.57) NR3C1PGRCYP3A4NR3C2KCNH2
SCHEMBL1680219 0.71 NR3C1 (0.48) NR3C1PGRCYP3A4NR3C2
SCHEMBL291016 0.70 NR3C1 (0.55) NR3C1PGRNR3C2
SCHEMBL291200 0.69 CYP11B1 (0.44) NR3C1PGRCYP3A4NR3C2
SCHEMBL5396225 0.67 KCNH2 (0.32) NR3C1PGRNR3C2KCNH2
SCHEMBL292068 0.65 NR3C1 (0.59) NR3C1PGRNR3C2
SCHEMBL5781547 0.64 NR3C1 (0.56) NR3C1PGRCYP3A4NR3C2
SCHEMBL448531 0.63 DDAH1 (0.42)

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-2061444-B1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB (US) 2011-04-20 EP disclosed