SCHEMBL15445011

SCHEMBL15445011

O=C(Nc1ccccc1)N1CCOc2cc(-c3ccc(C(=O)[C@H]4CC[C@@H](C(=O)O)CC4)cc3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 18/20 0.77
▸ SOAT2 O75908 1/20 0.62
▸ KDR P35968 1/20 0.51
▸ MAPT P10636 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
SCHEMBL9984504 1.00 DGAT1 (0.77) DGAT1SOAT2KDRMAPT
SCHEMBL9984501 1.00 DGAT1 (0.77) DGAT1SOAT2KDRMAPT
SCHEMBL12045628 0.93 DGAT1 (0.71) DGAT1SOAT2KDRMAPT
SCHEMBL9984802 0.87 DGAT1 (0.78) DGAT1SOAT2KDRMAPT
SCHEMBL10260116 0.87 DGAT1 (1.00) DGAT1SOAT2KDR
SCHEMBL10198101 0.87 DGAT1 (1.00) DGAT1SOAT2KDR
SCHEMBL409072 0.87 DGAT1 (1.00) DGAT1SOAT2KDR
SCHEMBL10197384 0.83 DGAT1 (0.86) DGAT1SOAT2KDRMAPT
SCHEMBL9985305 0.83 DGAT1 (0.76) DGAT1SOAT2KDR
SCHEMBL9985300 0.83 DGAT1 (0.76) DGAT1SOAT2KDR

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
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 — — US disclosed
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