SCHEMBL9987183

SCHEMBL9987183

CC(Cc1cccc2c1OCC2)CC(N)(Cc1cc2ccc(F)cc2[nH]1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.44
NR3C2 P08235 17/20 0.44
PGR P06401 14/20 0.44
SLC6A4 P31645 2/20 0.33
PIN1 Q13526 1/20 0.33
SLC6A2 P23975 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR1A P08908 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
SCHEMBL291508 0.80 NR3C1 (0.64) NR3C1NR3C2PGR
SCHEMBL291288 0.70 NR3C1 (0.78) NR3C1NR3C2PGR
SCHEMBL5820785 0.68 NR3C1 (0.52) NR3C1NR3C2PGRSLC6A4SLC6A2
SCHEMBL4573135 0.66 KCNH2 (0.38) NR3C1NR3C2PGRSLC6A4SLC6A2
SCHEMBL24873061 0.64 KCNH2 (0.52) SLC6A4SLC6A2KCNH2
SCHEMBL293688 0.61 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL4162149 0.61 NR3C1 (0.76) NR3C1NR3C2PGR
SCHEMBL29991828 0.61 HTR2C (0.47) NR3C1NR3C2PGRPIN1
SCHEMBL293015 0.61 NR3C1 (0.54) NR3C1NR3C2PGR
SCHEMBL292635 0.60 NR3C1 (0.76) NR3C1NR3C2PGR

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