SCHEMBL4854545

SCHEMBL4854545

COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4cc(C)nc(Cl)c4)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 14/20 0.55
PRSS12 P56730 1/20 0.52
HSD11B1 P28845 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4786572 0.93 FASN (0.53) FASNPRSS12HSD11B1LMNAMAPT
SCHEMBL4909134 0.92 FASN (0.50) FASNPRSS12HSD11B1LMNAMAPT
SCHEMBL4785982 0.90 FASN (0.58) FASNPRSS12HSD11B1LMNAMAPT
SCHEMBL4784807 0.88 FASN (0.70) FASNPRSS12
SCHEMBL4736480 0.86 FASN (0.68) FASNPRSS12HSD11B1LMNAMAPT
SCHEMBL4735855 0.86 FASN (0.57) FASNPRSS12HSD11B1LMNAMAPT
SCHEMBL4735653 0.85 HSD11B1 (0.60) FASNPRSS12HSD11B1LMNAMAPT
SCHEMBL4784787 0.85 PRSS12 (0.55) FASNPRSS12HSD11B1LMNAMAPT
SCHEMBL4734917 0.84 FASN (0.55) FASNPRSS12HSD11B1LMNAMAPT
SCHEMBL4734229 0.83 FASN (0.54) FASNPRSS12HSD11B1LMNAMAPT

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
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed