SCHEMBL4471871

SCHEMBL4471871

COc1ccccc1N1CCN(CC(O)(CC(C)(CF)c2cc(F)ccc2OC)C(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NR3C2 P08235 4/20 0.45
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
PGR P06401 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTR7 P34969 1/20 0.42

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
SCHEMBL4471865 0.80 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL4471868 0.78 NR3C1 (0.56) NR3C1MAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8877327 0.72 DRD2 (0.62) MAPK1ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL3661037 0.72 NR3C1 (0.48) NR3C1NR3C2PGR
SCHEMBL4467436 0.71 NR3C1 (0.70) NR3C1NR3C2PGR
SCHEMBL6668738 0.71 NR3C1 (0.47) NR3C1NR3C2PGR
SCHEMBL14158683 0.70 NR3C1 (0.46) NR3C1NR3C2PGR
SCHEMBL4483501 0.70 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL3655483 0.70 NR3C1 (0.48) NR3C1NR3C2PGR
SCHEMBL13254564 0.70 DRD2 (0.66) MAPK1ALDH1A1KMT2ASMN1; SMN2KDM4E

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-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed