SCHEMBL4615078

SCHEMBL4615078

COc1ccc(CNC(=O)NCc2ccc(CNC(=O)Cc3cccc(C[C@@H](C)NC[C@H](O)c4ccc(-n5c(C)ccc5C)nc4)c3)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.50
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4615081 1.00 ADRB2 (0.50) ADRB2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4613866 0.94 ADRB2 (0.48) ADRB2ALDH1A1SMN1; SMN2TDP1
SCHEMBL4613871 0.94 ADRB2 (0.48) ADRB2ALDH1A1SMN1; SMN2TDP1
SCHEMBL4614250 0.94 ADRB2 (0.48) ADRB2ALDH1A1SMN1; SMN2TDP1
SCHEMBL5685792 0.94 ADRB2 (0.48) ADRB2ALDH1A1SMN1; SMN2TDP1
SCHEMBL4614245 0.94 ADRB2 (0.48) ADRB2ALDH1A1SMN1; SMN2TDP1
SCHEMBL4864873 0.92 ADRB2 (0.54) ADRB2
SCHEMBL4864861 0.92 ADRB2 (0.54) ADRB2
SCHEMBL4613101 0.89 ADRB2 (0.52) ADRB2
SCHEMBL4613084 0.89 ADRB2 (0.52) ADRB2

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
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
WO-2004108675-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed