SCHEMBL2699735

SCHEMBL2699735

N#Cc1cccnc1N1CCCC2(CCN(c3ccccc3Cl)C2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
HTR2A P28223 4/20 0.46
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
HSD11B1 P28845 2/20 0.40
EGLN1 Q9GZT9 2/20 0.40
MALT1 Q9UDY8 2/20 0.39
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
SCHEMBL2699628 1.00 DRD2 (0.46) DRD2HTR2AHTR1AHTR7KDM4E
SCHEMBL550621 1.00 DRD2 (0.46) DRD2HTR2AHTR1AHTR7KDM4E
SCHEMBL549835 0.89 HSD11B1 (0.45) HSD11B1EGLN1MALT1
SCHEMBL17082064 0.89 HSD11B1 (0.45) HSD11B1EGLN1MALT1
SCHEMBL4570053 0.86 MALT1 (0.52) HSD11B1EGLN1MALT1
SCHEMBL550273 0.84 HSD11B1 (0.44) HTR1AHTR7HSD11B1EGLN1MALT1
SCHEMBL17082059 0.84 HSD11B1 (0.44) HTR1AHTR7HSD11B1EGLN1MALT1
SCHEMBL5572908 0.83 HSD11B1 (0.43) HSD11B1EGLN1MALT1
SCHEMBL4570051 0.83 HSD11B1 (0.41) HSD11B1EGLN1MALT1ALDH1A1MAPT
SCHEMBL549493 0.83 HSD11B1 (0.43) HSD11B1EGLN1MALT1

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
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP disclosed