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Sugi Predict / Compounds / Dimethylamine

Dimethylamine

Dimethylamine

SCHEMBL5822669

CC1(C)OCC(CC(C)(C)c2cc(S(=O)(=O)O)cc3c2OCC3)(C(F)F)O1.CNC

nearest known ligand 0.35

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 5/20 0.35
▸ NR3C2 P08235 5/20 0.35
▸ PGR P06401 2/20 0.33

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
SCHEMBL5822670 0.84 NR3C1 (0.33) NR3C1NR3C2PGR
SCHEMBL5820046 0.81 NR3C1 (0.39) NR3C1NR3C2PGR
SCHEMBL15756223 0.72 NR3C1 (0.37) NR3C1NR3C2PGR
SCHEMBL5798659 0.72 NR3C1 (0.37) NR3C1NR3C2PGR
SCHEMBL4168320 0.68 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL3658042 0.65 NR3C1 (0.52) NR3C1NR3C2PGR
SCHEMBL4489826 0.63 NR3C1 (0.30) NR3C1NR3C2PGR
SCHEMBL5777309 0.61 NR3C1 (0.52) NR3C1NR3C2PGR
SCHEMBL5812425 0.60 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL5781128 0.60 NR3C1 (0.53) 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-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 — — EP disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 — — WO disclosed