SCHEMBL6067

SCHEMBL6067

O=C(C1CC1)N1CCC(CNc2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
F10 P00742 1/20 0.40
CCR3 P51677 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KAT2B Q92831 1/20 0.40

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
SCHEMBL6065 1.00 HTT (0.45) HTTMEN1KMT2ATRPV1GAA
SCHEMBL11909292 0.88 HTT (0.49) HTTMEN1KMT2AGAAMAPK1
SCHEMBL11909294 0.88 HTT (0.49) HTTMEN1KMT2AGAAMAPK1
SCHEMBL2014265 0.86 MEN1 (0.45) HTTMEN1KMT2AGAAMAPT
SCHEMBL13834569 0.86 MEN1 (0.45) HTTMEN1KMT2AGAAMAPT
SCHEMBL5906 0.85 NPY5R (0.42) KMT2AMAPK1MAPTL3MBTL1
SCHEMBL6903 0.85 KAT2B (0.43) HTTMEN1KMT2AMAPK1MAPT
SCHEMBL6123 0.85 NPY5R (0.42) MAPK1MAPTCCR3ALDH1A1LMNA
SCHEMBL6263 0.85 KAT2B (0.44) HTTMEN1KMT2ATRPV1GAA
SCHEMBL5904 0.85 NPY5R (0.42) KMT2AMAPK1MAPTL3MBTL1

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