SCHEMBL23739883

SCHEMBL23739883

CC(C)(C)c1ccc(-n2ccc3cc(N(CCO)C(=O)c4c(Cl)ncnc4Cl)ccc32)cn1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.63
CCR9 P51686 2/20 0.34
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.31

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
SCHEMBL15742442 0.94 DGAT1 (0.62) DGAT1MAPT
SCHEMBL14136900 0.91 DGAT1 (0.59) DGAT1MAPTKCNH2
SCHEMBL23740109 0.89 DGAT1 (0.81) DGAT1CCR9
SCHEMBL15732794 0.86 DGAT1 (0.75) DGAT1MAPT
SCHEMBL14136848 0.83 DGAT1 (0.59) DGAT1MAPT
SCHEMBL15742574 0.83 DGAT1 (0.80) DGAT1
SCHEMBL15522153 0.82 DGAT1 (0.79) DGAT1
SCHEMBL14136659 0.79 DGAT1 (0.56) DGAT1MAPT
SCHEMBL20992139 0.78 DGAT1 (0.53) DGAT1
SCHEMBL15733006 0.78 DGAT1 (0.55) 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-3492474-B1 INTERMEDIATES USED IN THE PRODUCTION OF DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2021-08-11 EP disclosed