SCHEMBL5685693

SCHEMBL5685693

Cc1ccc(C)n1-c1ccc([C@H](O)CN[C@H](C)Cc2cccc(CC(N)=O)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.45
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43

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
SCHEMBL5685687 1.00 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL4616023 0.92 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL4614869 0.92 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL4614864 0.92 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL4616030 0.92 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL4858775 0.90 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL4858762 0.90 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL4614017 0.90 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL4614013 0.90 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL6110480 0.89 ADRB2 (0.46) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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