SCHEMBL20428644

SCHEMBL20428644

COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(-c4ccccc4)[nH]3)cc2)cn1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 17/20 0.82
▸ SCN2A Q99250 2/20 0.49
▸ NPY5R Q15761 1/20 0.46
▸ NQO2 P16083 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
SCHEMBL20428663 0.91 DGAT1 (0.83) DGAT1SCN2A
SCHEMBL16649144 0.90 DGAT1 (1.00) DGAT1
SCHEMBL16649188 0.83 DGAT1 (1.00) DGAT1SCN2A
SCHEMBL16660848 0.82 DGAT1 (0.85) DGAT1
SCHEMBL16790146 0.81 DGAT1 (0.67) DGAT1
SCHEMBL16660928 0.80 DGAT1 (0.70) DGAT1SCN2ANPY5R
SCHEMBL16787579 0.80 DGAT1 (0.79) DGAT1
SCHEMBL16661033 0.79 DGAT1 (0.62) DGAT1
SCHEMBL16649080 0.78 DGAT1 (1.00) DGAT1
SCHEMBL16648982 0.78 DGAT1 (0.78) DGAT1

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-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 — — EP disclosed
Send feedback