SCHEMBL3658788

SCHEMBL3658788

O=C(Oc1ccccc1)c1cnc(C2CCNCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
HTR1A P08908 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TMPRSS15 P98073 5/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HPGDS O60760 1/20 0.39
HRH1 P35367 1/20 0.37
HCRTR2 O43614 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL14164237 0.80 PLAT (0.41) MEN1KMT2ACHRNB2CHRNA4HCRTR2
SCHEMBL31706232 0.80 PLAT (0.41) MEN1KMT2ACHRNB2CHRNA4HCRTR2
SCHEMBL15376175 0.77 HCRTR2 (0.48) HCRTR2ALDH1A1
SCHEMBL31705326 0.77 HCRTR2 (0.48) HCRTR2ALDH1A1
SCHEMBL15531201 0.75 HCRTR2 (0.50) MEN1KMT2AHCRTR2ALDH1A1MAPT
SCHEMBL12709970 0.72 PLAT (0.42) MEN1KMT2ACHRNB2CHRNA4HPGDS
SCHEMBL11700479 0.71 ALDH1A1 (0.44) SLC6A2SLC6A3MEN1KMT2ATMPRSS15
SCHEMBL23512729 0.70 HCRTR2 (0.47) HCRTR2ALDH1A1MAPT
SCHEMBL4677044 0.70 CHRNB2 (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL22579415 0.69 HRH3 (0.41) SLC6A3MEN1KMT2AHCRTR2ALDH1A1

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-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed