SCHEMBL9987154

SCHEMBL9987154

Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(CN3CCOCC3)ccc2[nH]1)C(F)(F)F.Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(CN3CCOCC3)ncc2[nH]1)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.70
CYP3A4 P08684 12/20 0.70
NR3C2 P08235 6/20 0.64
PGR P06401 5/20 0.64
KCNH2 Q12809 1/20 0.57

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
SCHEMBL292687 0.95 NR3C1 (0.77) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL291539 0.93 NR3C1 (0.68) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL3807894 0.88 NR3C1 (0.64) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL4571045 0.84 NR3C1 (0.54) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL6384914 0.83 NR3C1 (0.56) NR3C1CYP3A4NR3C2PGR
SCHEMBL6385232 0.83 NR3C1 (0.71) NR3C1CYP3A4NR3C2PGR
SCHEMBL6385448 0.83 NR3C1 (1.00) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL15756249 0.80 NR3C1 (0.80) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL15756252 0.80 NR3C1 (0.56) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL3807896 0.79 NR3C1 (0.52) NR3C1CYP3A4NR3C2PGRKCNH2

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