Sugi Predict

Sugi Predict / Compounds / Dimethylamine

Dimethylamine

Dimethylamine

SCHEMBL6571200

CCNc1ccccc1S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1.CNC

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.62
▸ PDK1 Q15118 16/20 0.62
▸ PDK2 Q15119 16/20 0.62
▸ PDK3 Q15120 16/20 0.62
▸ PDK4 Q16654 16/20 0.62
▸ PTGES2 Q9H7Z7 1/20 0.61
▸ NR1H2 P55055 1/20 0.55
▸ NR1H3 Q13133 1/20 0.55
▸ ABCC9 O60706 1/20 0.54
▸ ABCC8 Q09428 1/20 0.54
▸ KCNJ11 Q14654 1/20 0.54
▸ KCNJ8 Q15842 1/20 0.54

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
SCHEMBL6358824 0.88 ABCB11 (0.77) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6358820 0.88 ABCB11 (0.77) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6571193 0.87 PDK1 (0.69) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6571482 0.86 PDK1 (0.67) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6571318 0.86 PDK1 (0.67) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6571325 0.86 PDK1 (0.67) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6569153 0.86 PTGES2 (0.68) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6569160 0.86 PTGES2 (0.68) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6571476 0.86 PDK1 (0.67) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6571087 0.85 PTGES2 (0.70) ABCB11PDK1PDK2PDK3PDK4

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
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 — — EP disclosed