SCHEMBL6506207

SCHEMBL6506207

CCOC(=O)N1CCN(C(=O)Cc2cccc(CC(C)(C)NC[C@@H](O)c3ccc(O)c(NC(N)=O)c3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.52
CHRM3 P20309 1/20 0.42
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL6506203 1.00 ADRB2 (0.52) ADRB2CHRM3ADRB1ADRB3MEN1
SCHEMBL6515169 0.87 ADRB2 (0.53) ADRB2CHRM3ADRB1ADRB3
SCHEMBL6515181 0.87 ADRB2 (0.53) ADRB2CHRM3ADRB1ADRB3
SCHEMBL6530357 0.86 ADRB2 (0.47) ADRB2ADRB1MEN1KMT2A
SCHEMBL6504599 0.86 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL6531802 0.85 ADRB2 (0.49) ADRB2ADRB1ADRB3
SCHEMBL6508746 0.85 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL3917083 0.84 ADRB2 (0.45) ADRB2ADRB1MEN1KMT2A
SCHEMBL6511853 0.82 ADRB2 (0.50) ADRB2CHRM3ADRB1
SCHEMBL6506911 0.81 ADRB2 (0.52) ADRB2CHRM3ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed