SCHEMBL5417045

SCHEMBL5417045

CCCCNC1CCCC(Oc2ccc3[nH]ncc3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.48
ROCK2 O75116 17/20 0.46
CCR2 P41597 3/20 0.46
CHRM4 P08173 1/20 0.39
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 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
SCHEMBL5417039 1.00 ROCK1 (0.48) ROCK1ROCK2CCR2CHRM4AXL
SCHEMBL5417033 1.00 ROCK1 (0.48) ROCK1ROCK2CCR2CHRM4AXL
SCHEMBL5408980 0.94 ROCK1 (0.50) ROCK1ROCK2CCR2CHRM4AXL
SCHEMBL5408974 0.94 ROCK1 (0.50) ROCK1ROCK2CCR2CHRM4AXL
SCHEMBL5408987 0.94 ROCK1 (0.50) ROCK1ROCK2CCR2CHRM4AXL
SCHEMBL5412158 0.89 ROCK1 (0.60) ROCK1ROCK2CCR2CHRM4AXL
SCHEMBL5404790 0.89 ROCK2 (0.50) ROCK1ROCK2CCR2CHRM4AXL
SCHEMBL5412156 0.89 ROCK1 (0.60) ROCK1ROCK2CCR2CHRM4AXL
SCHEMBL5404784 0.89 ROCK2 (0.50) ROCK1ROCK2CCR2CHRM4AXL
SCHEMBL5412163 0.89 ROCK1 (0.60) ROCK1ROCK2CCR2CHRM4AXL

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