SCHEMBL13624870

SCHEMBL13624870

C#Cc1ccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)cn(C)c2c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.64
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PGR P06401 3/20 0.41

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
SCHEMBL4275453 0.91 NR3C1 (0.68) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4275503 0.87 NR3C1 (0.63) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4278483 0.86 NR3C1 (0.71) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4282623 0.84 NR3C1 (0.60) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4281763 0.84 NR3C1 (0.59) NR3C1PGR
SCHEMBL4277271 0.84 NR3C1 (0.59) NR3C1PGR
SCHEMBL4277746 0.82 NR3C1 (0.57) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4280735 0.82 NR3C1 (0.57) NR3C1CYP11B1CYP11B2
SCHEMBL4277704 0.82 NR3C1 (0.56) NR3C1
SCHEMBL4279273 0.82 NR3C1 (0.58) 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 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