Dimethylamine

Dimethylamine

SCHEMBL1076568

CC(C)n1c(C(=O)O)nnc1-c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.CNC

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 2/20 0.45
▸ CCR9 P51686 18/20 0.44

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
SCHEMBL1036740 0.91 HSD17B2 (0.45) HSD17B2CCR9
SCHEMBL1038561 0.89 HSD17B2 (0.44) HSD17B2CCR9
SCHEMBL1034935 0.88 CCR9 (0.45) HSD17B2CCR9
SCHEMBL1076570 0.87 HSD17B2 (0.43) HSD17B2CCR9
SCHEMBL1035106 0.86 HSD17B2 (0.47) HSD17B2CCR9
SCHEMBL1034964 0.86 HSD17B2 (0.46) HSD17B2CCR9
SCHEMBL1035070 0.85 HSD17B2 (0.47) HSD17B2CCR9
SCHEMBL1039060 0.85 HSD17B2 (0.51) HSD17B2CCR9
SCHEMBL1040059 0.83 CCR2 (0.49) —
SCHEMBL1033990 0.81 CCR9 (0.48) HSD17B2CCR9

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-2049515-B1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS CHEMOCENTRYX INC (US) 2011-01-26 — — EP disclosed
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