SCHEMBL4259944

SCHEMBL4259944

COc1ccnc(-c2nccn2C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.61
CCR5 P51681 2/20 0.61
CCR8 P51685 2/20 0.61
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
POLB P06746 2/20 0.43
PLAU P00749 1/20 0.41
P2RX7 Q99572 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CBFB Q13951 2/20 0.39
DYRK1A Q13627 2/20 0.39
MAOA P21397 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 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
SCHEMBL24575918 0.83 CCR1 (0.41) CCR1CCR5CCR8POLBNPC1
SCHEMBL182529 0.78 CCR1 (1.00) CCR1CCR5CCR8NOS3NOS1
SCHEMBL29395249 0.78 CCR1 (1.00) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9014019 0.77 CCR1 (0.80) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9014003 0.77 CCR1 (0.80) CCR1CCR5CCR8NOS3NOS1
SCHEMBL14554394 0.77 CCR1 (0.80) CCR1CCR5CCR8NOS3NOS1
SCHEMBL20761804 0.76 CCR1 (0.41) CCR1CCR5CCR8POLBNPC1
Methane SCHEMBL21386924 0.76 CCR1 (0.95) CCR1CCR5CCR8NOS3NOS1
SCHEMBL8746042 0.76 CCR1 (0.95) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9135460 0.76 CCR1 (0.95) CCR1CCR5CCR8NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8409425-B2 Biosensor coating composition and methods thereof ABBOTT DIABETES CARE INC. (US) 2013-04-02 US disclosed
US-8409425-B2 Biosensor coating composition and methods thereof ABBOTT DIABETES CARE INC. (US) 2013-04-02 US disclosed
US-20130034664-A1 Biosensor Coating Composition and Methods Thereof ABBOTT DIABETES CARE INC. 2013-02-07 US disclosed
US-20130034664-A1 Biosensor Coating Composition and Methods Thereof ABBOTT DIABETES CARE INC. 2013-02-07 US disclosed
US-8262874-B2 Biosensor coating composition and methods thereof ABBOTT DIABETES CARE INC. (US) 2012-09-11 US disclosed
US-8262874-B2 Biosensor coating composition and methods thereof ABBOTT DIABETES CARE INC. (US) 2012-09-11 US disclosed
US-8262874-B2 Biosensor coating composition and methods thereof ABBOTT DIABETES CARE INC. (US) 2012-09-11 US disclosed
US-8226814-B2 Transition metal complexes with pyridyl-imidazole ligands ABBOTT DIABETES CARE INC. (US) 2012-07-24 US disclosed
US-8226814-B2 Transition metal complexes with pyridyl-imidazole ligands ABBOTT DIABETES CARE INC. (US) 2012-07-24 US disclosed
US-8226814-B2 Transition metal complexes with pyridyl-imidazole ligands ABBOTT DIABETES CARE INC. (US) 2012-07-24 US disclosed
WO-2009129108-A1 BIOSENSOR COATING COMPOSITIONS AND METHODS THEREOF ABBOTT DIABETES CARE INC. (US) 2009-10-22 WO disclosed
US-20090255811-A1 BIOSENSOR COATING COMPOSITION AND METHODS THEREOF ABBOTT DIABETES CARE INC. 2009-10-15 US disclosed
US-20090255811-A1 BIOSENSOR COATING COMPOSITION AND METHODS THEREOF ABBOTT DIABETES CARE INC. 2009-10-15 US disclosed
US-20090255811-A1 BIOSENSOR COATING COMPOSITION AND METHODS THEREOF ABBOTT DIABETES CARE INC. 2009-10-15 US disclosed
US-20090095642-A1 TRANSITION METAL COMPLEXES WITH PYRIDYL-IMIDAZOLE LIGANDS ABBOTT DIABETES CARE INC. 2009-04-16 US disclosed
US-20090095642-A1 TRANSITION METAL COMPLEXES WITH PYRIDYL-IMIDAZOLE LIGANDS ABBOTT DIABETES CARE INC. 2009-04-16 US disclosed
US-20090095642-A1 TRANSITION METAL COMPLEXES WITH PYRIDYL-IMIDAZOLE LIGANDS ABBOTT DIABETES CARE INC. 2009-04-16 US disclosed