SCHEMBL28800657

SCHEMBL28800657

Nc1cccc(OCCCl)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
NCF1 P14598 9/20 0.37
MCHR1 Q99705 6/20 0.36
CYBB P04839 2/20 0.36
NOX5 Q96PH1 1/20 0.36
ASIC3 Q9UHC3 1/20 0.34
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33

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
SCHEMBL2255491 0.81 ALDH1A1 (0.41) HTR7NOS3NOS2NCF1MCHR1
SCHEMBL16943223 0.81 HTR7 (0.38) HTR7NOS3NOS2NCF1MCHR1
SCHEMBL30461593 0.81 HTR7 (0.38) HTR7NOS3NOS2NCF1MCHR1
SCHEMBL1964751 0.79 TSHR (0.41) HTR7NOS3NOS2NCF1MCHR1
SCHEMBL6305400 0.79 NCF1 (0.39) HTR7NOS3NOS2NCF1MCHR1
SCHEMBL3133230 0.79 MCHR1 (0.55) HTR7NOS3NOS2NCF1MCHR1
SCHEMBL2062738 0.78 MCHR1 (0.40) HTR7NOS3NOS2NCF1MCHR1
SCHEMBL29545328 0.78 MCHR1 (0.56) NCF1MCHR1
SCHEMBL18578440 0.78 MCHR1 (0.56) NCF1MCHR1
SCHEMBL4903520 0.77 HTR7 (0.66) HTR7NOS3NOS2NCF1CYBB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102861610-A Hyperbranched amido pyridine contained catalyst, preparation methods of catalyst and application of catalyst NINGBO CHANGYANG TECHNOLOGY CO 2013-01-09 CN claimed
CN-102861610-B Hyperbranched amido pyridine contained catalyst, preparation methods of catalyst and application of catalyst NINGBO CHANGYANG TECHNOLOGY CO 2014-05-07 CN disclosed
CN-102861610-A Hyperbranched amido pyridine contained catalyst, preparation methods of catalyst and application of catalyst NINGBO CHANGYANG TECHNOLOGY CO 2013-01-09 CN disclosed