SCHEMBL5215414

SCHEMBL5215414

Nc1nccc(Cc2cccc(OC3CCCC3)c2)c1N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.48
ROCK1 Q13464 6/20 0.43
IGF1R P08069 2/20 0.42
ROCK2 O75116 2/20 0.42
KCNH2 Q12809 2/20 0.42
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
HRH1 P35367 1/20 0.39
LNPEP Q9UIQ6 1/20 0.37

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
SCHEMBL5214698 0.77 DHFR (0.63) DHFRIGF1R
SCHEMBL5212593 0.75 DHFR (0.65) DHFR
SCHEMBL8263971 0.74 BACE1 (0.54) IGF1R
SCHEMBL6489092 0.72 CSNK2A1 (0.54) LOXLOXL2HRH1
SCHEMBL12696907 0.71 LOX (0.55) LOXLOXL2HRH1
SCHEMBL7499087 0.70 LTA4H (0.43) ROCK1
SCHEMBL20190549 0.70 TAAR1 (0.56) HRH1
SCHEMBL1409246 0.70 CSNK2A1 (0.50) LOXLOXL2HRH1
SCHEMBL676340 0.70 ALDH1A1 (0.45) KCNH2HRH1
SCHEMBL13802801 0.70 HRH1 (0.46) KCNH2HRH1

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-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO claimed