SCHEMBL5906

SCHEMBL5906

O=C(C1CC1)N1CCC(CNc2ccc(F)cc2[N+](=O)[O-])C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
FASN P49327 4/20 0.40
MAPK1 P28482 2/20 0.40
EPHX2 P34913 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HCAR3 P49019 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 2/20 0.39
KCNMA1 Q12791 1/20 0.39
FAAH O00519 1/20 0.39
BCHE P06276 1/20 0.39
MAPT P10636 2/20 0.39
STAT3 P40763 1/20 0.38
MGLL Q99685 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
SCHEMBL5904 1.00 NPY5R (0.42) NPY5RFASNMAPK1EPHX2L3MBTL1
SCHEMBL6121 0.92 NPY5R (0.42) NPY5RFASNMAPK1EPHX2ACHE
SCHEMBL6123 0.92 NPY5R (0.42) NPY5RFASNMAPK1EPHX2ACHE
SCHEMBL11909133 0.89 HCAR3 (0.43) MAPK1EPHX2L3MBTL1HCAR3KMT2A
SCHEMBL11909130 0.89 HCAR3 (0.43) MAPK1EPHX2L3MBTL1HCAR3KMT2A
SCHEMBL6261 0.88 KAT2B (0.44) L3MBTL1HCAR3KMT2AKCNMA1MAPT
SCHEMBL6263 0.88 KAT2B (0.44) L3MBTL1HCAR3KMT2AKCNMA1MAPT
SCHEMBL6280 0.87 STAT3 (0.54) MAPK1KMT2AMAPTSTAT3
SCHEMBL6282 0.87 STAT3 (0.54) MAPK1KMT2AMAPTSTAT3
SCHEMBL6635 0.85 KMT2A (0.52) FASNMAPK1HCAR3KMT2AMAPT

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