SCHEMBL13611164

SCHEMBL13611164

Cc1ccc(-n2ncc3cc(C(O)(CC(F)(F)F)c4cn(CC(O)CO)c5ccccc45)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.45
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
SMO Q99835 1/20 0.35

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
SCHEMBL4285315 0.89 NR3C1 (0.55) NR3C1CYP11B1CYP11B2SMO
SCHEMBL4275048 0.81 NR3C1 (0.61) NR3C1SMO
SCHEMBL13611160 0.81 NR3C1 (0.42) NR3C1SMO
SCHEMBL27724526 0.80 NR3C1 (0.47) NR3C1CYP11B1CYP11B2SMO
SCHEMBL13611162 0.80 POLB (0.43) NR3C1SMO
SCHEMBL13611161 0.79 NR3C1 (0.41) NR3C1CYP11B1CYP11B2SMO
SCHEMBL4764413 0.77 NR3C1 (0.50) NR3C1CYP11B1CYP11B2SMO
SCHEMBL4281429 0.77 NR3C1 (0.59) NR3C1CYP11B1CYP11B2SMO
SCHEMBL4279204 0.74 NR3C1 (0.58) NR3C1CYP11B1CYP11B2SMO
SCHEMBL3003795 0.74 NR3C1 (0.63) NR3C1SMO

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
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed