SCHEMBL5408718

SCHEMBL5408718

Cc1c(OC2CCN(C)CC2)ccc2[nH]ncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
TIPARP Q7Z3E1 2/20 0.42
LRRK2 Q5S007 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 3/20 0.37
PIK3CA P42336 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SGK1 O00141 2/20 0.36
DYRK1A Q13627 4/20 0.36
GSK3B P49841 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5408010 0.87 AXL (0.40) AXLTYRO3MERTKROCK2CCR2
SCHEMBL5413298 0.86 AXL (0.45) AXLTYRO3MERTKMAOAMAOB
SCHEMBL5405638 0.86 HRH3 (0.42) AXLTYRO3MERTKHRH3
SCHEMBL5414878 0.86 AXL (0.45) AXLTYRO3MERTKMAOAMAOB
SCHEMBL5401813 0.85 AXL (0.43) AXLTYRO3MERTKMAOAMAOB
SCHEMBL5412679 0.85 HRH3 (0.47) AXLTYRO3MERTKHRH3
SCHEMBL5417439 0.84 CYP4F2 (0.47) AXLTYRO3MERTKTIPARPPIK3CA
SCHEMBL5413106 0.83 AXL (0.42) AXLTYRO3MERTKTIPARPTGFBR1
SCHEMBL5410905 0.82 AXL (0.43) AXLTYRO3MERTKTIPARP
SCHEMBL5410993 0.82 AXL (0.43) AXLTYRO3MERTKTIPARP

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
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP disclosed