SCHEMBL4032

SCHEMBL4032

Nc1ccc(F)cc1NCC1CCN(C(=O)C2CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.48
FASN P49327 5/20 0.44
NPY5R Q15761 1/20 0.44
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 5/20 0.43
MGLL Q99685 1/20 0.40
HSD11B1 P28845 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL4030 1.00 HDAC2 (0.48) HDAC2FASNNPY5RHDAC3HDAC1
SCHEMBL11953 0.91 NPY5R (0.44) HDAC2FASNNPY5RHDAC3HDAC1
SCHEMBL11908825 0.86 USP30 (0.39) HDAC2FASNHDAC3HDAC1
SCHEMBL10319 0.86 LIPC (0.46) HDAC2GAA
SCHEMBL7675 0.84 FASN (0.44) HDAC2FASN
SCHEMBL7673 0.84 FASN (0.44) HDAC2FASN
SCHEMBL10293 0.84 ALDH1A1 (0.48) FASN
SCHEMBL10298 0.83 F10 (0.41) HDAC2FASNHDAC3HDAC1
SCHEMBL6121 0.83 NPY5R (0.42) FASNNPY5RMGLLHSD11B1
SCHEMBL6123 0.83 NPY5R (0.42) FASNNPY5RMGLLHSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed