SCHEMBL13711684

SCHEMBL13711684

Nc1c(Nc2ccc(C(=O)NC3CCOC3=O)cc2)sc(C(=O)c2coc3ccccc23)c1N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA2B P29275 2/20 0.35
MAOA P21397 1/20 0.35
DRD2 P14416 6/20 0.34
HTR2A P28223 6/20 0.34
DRD3 P35462 6/20 0.34

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
SCHEMBL4476805 0.91 MAPT (0.46) MAOBMITFALDH1A1MAPTTHRB
SCHEMBL13638727 0.79 MAPK11 (0.41)
SCHEMBL4474220 0.77 MAPT (0.46) ALDH1A1MAPT
SCHEMBL4468052 0.76 MAPT (0.48) ALDH1A1MAPT
SCHEMBL4477182 0.72 MAPT (0.51) ALDH1A1MAPT
SCHEMBL4471831 0.72 MAPT (0.48) ALDH1A1MAPT
SCHEMBL4475799 0.71 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL4472094 0.70 MAPT (0.51) ALDH1A1MAPTNPSR1
SCHEMBL4469147 0.70 ALDH1A1 (0.44) ALDH1A1MAPT
SCHEMBL4468120 0.70 MAPT (0.45) ALDH1A1MAPT

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
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed