SCHEMBL6246602

SCHEMBL6246602

COc1ccc(F)cc1C(C)(C)CC1(C(F)F)CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.39
NR3C2 P08235 11/20 0.39
PGR P06401 1/20 0.38

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
SCHEMBL4474597 0.86 NR3C2 (0.44) NR3C1NR3C2
SCHEMBL6251969 0.81 NR3C2 (0.42) NR3C1NR3C2PGR
SCHEMBL1774481 0.72 NR3C2 (0.47) NR3C1NR3C2
SCHEMBL4697278 0.72 NR3C2 (0.47) NR3C1NR3C2
SCHEMBL303242 0.72 NR3C2 (0.47) NR3C1NR3C2
SCHEMBL3883095 0.72 NR3C2 (0.47) NR3C1NR3C2
SCHEMBL5776869 0.68 NR3C2 (0.47) NR3C1NR3C2
SCHEMBL3882399 0.66 NR3C2 (0.53) NR3C1NR3C2PGR
SCHEMBL1634784 0.66 NR3C2 (0.53) NR3C1NR3C2
SCHEMBL5800422 0.66 NR3C1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed