SCHEMBL14775243

SCHEMBL14775243

[c]1ccc(OC2CCCCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.56
ROCK1 Q13464 4/20 0.43
IKBKB O14920 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
ROCK2 O75116 1/20 0.38
PRKACA P17612 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKG1 Q13976 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
PARP10 Q53GL7 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 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
SCHEMBL1895833 0.91 HRH1 (0.66) HRH1ROCK1IKBKBHRH3ROCK2
SCHEMBL21281 0.86 PARP10 (0.44) HRH1HRH3PARP10
SCHEMBL2924302 0.84 PARP10 (0.43) HRH1HRH3PARP10
SCHEMBL676960 0.84 PARP10 (0.43) HRH1HRH3PARP10
SCHEMBL22392 0.84 PARP10 (0.43) HRH1HRH3PARP10
SCHEMBL27560412 0.82 PARP10 (0.42) HRH1HRH3PARP10
SCHEMBL231982 0.82 PARP10 (0.48) HRH1HRH3PARP10SLC6A2SLC6A3
SCHEMBL4875434 0.81 CHRNB2 (0.53) HRH1ROCK1ROCK2PRKACAPRKG1
SCHEMBL6529789 0.79 PARP10 (0.41) HRH1HRH3PARP10
SCHEMBL333383 0.78 HRH1 (0.43) HRH1HRH3PARP10SLC6A2SLC6A3

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-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed