SCHEMBL821997

SCHEMBL821997

CC1CCc2ccccc2C1CC(O)(CNc1cccc2ncccc12)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.56
PGR P06401 1/20 0.47
P2RX7 Q99572 2/20 0.39
CRHR1 P34998 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5471412 0.86 NR3C1 (0.57) NR3C1PGRMEN1KMT2A
SCHEMBL809302 0.73 NR3C1 (0.57) NR3C1TRPV1
SCHEMBL809123 0.72 NR3C1 (1.00) NR3C1PGR
SCHEMBL3649830 0.72 NR3C1 (0.69) NR3C1PGRCRHR1MEN1KMT2A
SCHEMBL5172786 0.71 NR3C1 (0.62) NR3C1PGR
SCHEMBL2143635 0.71 NR3C1 (1.00) NR3C1PGR
SCHEMBL809055 0.69 NR3C1 (0.89) NR3C1PGR
SCHEMBL808953 0.67 NR3C1 (0.89) NR3C1PGR
SCHEMBL5173892 0.67 NR3C1 (0.53) NR3C1PGRMEN1KMT2A
SCHEMBL3762428 0.66 NR3C1 (0.70) NR3C1PGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776119-B9 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-06-13 EP claimed
EP-1776119-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-01-18 EP claimed