SCHEMBL9987170

SCHEMBL9987170

CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2c1OCC2.Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N3CCCCC3)ncc2[nH]1)C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.75
CYP3A4 P08684 14/20 0.75
PGR P06401 7/20 0.60
NR3C2 P08235 5/20 0.60
KCNH2 Q12809 1/20 0.55

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
SCHEMBL290889 0.90 NR3C1 (0.69) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL291217 0.90 NR3C1 (0.69) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL6385448 0.87 NR3C1 (1.00) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL291982 0.85 NR3C1 (0.85) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL15756274 0.85 NR3C1 (0.84) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL5800544 0.85 NR3C1 (0.86) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL9987961 0.84 NR3C1 (0.65) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL1931034 0.80 NR3C1 (0.54) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL1931073 0.80 NR3C1 (0.54) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL1680239 0.80 NR3C1 (0.69) NR3C1CYP3A4PGRNR3C2KCNH2

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-2397140-A1 Compositions and methods for treating or preventing glaucoma or progression thereof BAUSCH & LOMB INCORPORATED (US) 2011-12-21 EP disclosed