SCHEMBL4455271

SCHEMBL4455271

O=C(O)Nc1cccc(N2CCOC2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.52
MAOA P21397 4/20 0.52
MAOB P27338 4/20 0.52
RCOR1 Q9UKL0 4/20 0.52
KDM1B Q8NB78 2/20 0.52
GAA P10253 1/20 0.47
CAMK1D Q8IU85 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.42
USP2 O75604 2/20 0.42
HCRTR1 O43613 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL31054290 0.89 KDM1A (0.53) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL29111427 0.79 KDM1A (0.46) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL30444472 0.78 ALDH1A1 (0.60) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL1962849 0.78 ALDH1A1 (0.60) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL4223320 0.77 HTR1A (0.46) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL2877816 0.77 KDM1A (0.54) KDM1AMAOAMAOBRCOR1KDM1B
Hydrochloric Acid SCHEMBL29111428 0.77 KDM1A (0.46) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL12362785 0.76 KDM1A (0.46) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL30669238 0.76 HSD11B1 (0.55) MAOAMAOBMAPTL3MBTL1ALDH1A1
SCHEMBL10191867 0.76 HSD11B1 (0.55) MAOAMAOBMAPTL3MBTL1ALDH1A1

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed