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Sugi Predict / Compounds / SCHEMBL4471868

SCHEMBL4471868

SCHEMBL4471868

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 14/20 0.56
▸ NR3C2 P08235 10/20 0.55
▸ PGR P06401 2/20 0.54
▸ MAPK1 P28482 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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 0.88 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL4467436 0.79 NR3C1 (0.70) NR3C1NR3C2PGR
SCHEMBL4471871 0.78 NR3C1 (0.46) NR3C1NR3C2PGRMAPK1TSHR
SCHEMBL4483501 0.78 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL4467071 0.77 NR3C1 (0.73) NR3C1NR3C2PGR
SCHEMBL4484896 0.76 NR3C1 (0.68) NR3C1NR3C2PGR
SCHEMBL4487182 0.76 NR3C1 (0.65) NR3C1NR3C2PGR
SCHEMBL4476826 0.75 NR3C1 (0.70) NR3C1NR3C2PGR
SCHEMBL4477233 0.75 NR3C1 (0.77) NR3C1NR3C2PGR
SCHEMBL4488450 0.75 NR3C1 (0.67) 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 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