SCHEMBL16660819

SCHEMBL16660819

C=CC(C)(C)COc1ccc(-c2ccc(-c3ncc(-c4ccccc4)[nH]3)cn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 18/20 0.71
▸ HPGDS O60760 1/20 0.55
▸ SCN2A Q99250 1/20 0.50

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
SCHEMBL16649243 0.83 DGAT1 (1.00) DGAT1
SCHEMBL16787526 0.82 DGAT1 (0.86) DGAT1
SCHEMBL16660848 0.81 DGAT1 (0.85) DGAT1
SCHEMBL16660928 0.81 DGAT1 (0.70) DGAT1HPGDSSCN2A
SCHEMBL16787568 0.76 DGAT1 (0.86) DGAT1
SCHEMBL16649120 0.76 DGAT1 (0.86) DGAT1
SCHEMBL16660896 0.75 DGAT1 (0.85) DGAT1
SCHEMBL16787550 0.75 DGAT1 (0.85) DGAT1
SCHEMBL16787572 0.75 DGAT1 (0.85) DGAT1
SCHEMBL20428480 0.75 DGAT1 (0.65) 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-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 — — EP disclosed
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