SCHEMBL24933632

SCHEMBL24933632

COc1ccc(Cn2ncc3c2COCC3COc2ccc(Br)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.38
NPBWR1 P48145 4/20 0.37
MCHR1 Q99705 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
PDE1A P54750 1/20 0.34

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
SCHEMBL24933636 0.83 NPBWR1 (0.41) NPBWR1MCHR1SMN1; SMN2PDE1BPDE1C
SCHEMBL29203344 0.81 KDM4E (0.34) CYP3A4CYP2D6TSHRMAPK1CYP2C19
SCHEMBL30240868 0.78 NPBWR1 (0.42) NPBWR1MCHR1SMN1; SMN2PDE1BPDE1C
SCHEMBL29203391 0.70 TSHR (0.33) TSHR
SCHEMBL24933627 0.70 KCNH2 (0.31) CYP3A4CYP2D6CYP2C19PDE1BPDE1C
SCHEMBL24933626 0.67 NPBWR1 (0.50) NPBWR1MCHR1SMN1; SMN2PDE1BPDE1C
SCHEMBL24933635 0.67 NPBWR1 (0.44) NPBWR1MCHR1SMN1; SMN2
SCHEMBL29203463 0.67 NPBWR1 (0.39) NPBWR1MCHR1SMN1; SMN2PDE1BPDE1C
SCHEMBL29967137 0.64 NPBWR1 (0.43) NPBWR1MCHR1SMN1; SMN2
SCHEMBL25521029 0.64 NPBWR1 (0.43) NPBWR1MCHR1PDE1BPDE1CPDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed