SCHEMBL1276444

SCHEMBL1276444

CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4cccc(CC(F)NC(O)Cc5ccc(O)c6[nH]c(=O)sc56)c4)CC3)C2)cs1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.58
CHRM2 P08172 15/20 0.58
ADRB2 P07550 5/20 0.52
ADRB1 P08588 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1D P25100 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
SCHEMBL1276370 0.89 ADRB2 (0.59) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL10241950 0.83 ADRB2 (0.62) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL10241654 0.83 ADRB2 (0.67) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL10242177 0.80 ADRB2 (0.63) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL10242147 0.80 ADRB2 (0.63) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL10242161 0.80 ADRB2 (0.61) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL10241948 0.79 ADRB2 (0.68) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL1276054 0.79 ADRB2 (0.81) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL1276374 0.79 ADRB2 (0.81) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL10242150 0.79 ADRB2 (0.59) CHRM3CHRM2ADRB2ADRB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398792-A1 TOSYLATE SALT OF A 5-PYRAZOLYL-2-PYRIDONE DERIVATIVE, USEFUL IN THE TREATMENT OF COPD AstraZeneca AB (SE) 2011-12-28 EP disclosed
WO-2011012897-A1 NEW COMBINATIONS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
WO-2010094964-A1 TOSYLATE SALT OF A 5-PYRAZOLYL-2-PYRIDONE DERIVATIVE, USEFUL IN THE TREATMENT OF COPD ASTRAZENECA AB (SE) 2010-08-26 WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed