SCHEMBL6110738

SCHEMBL6110738

CC(C)(Cc1cccc(CNC(=O)Cc2cccc3ccccc23)c1)NC[C@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.81
ADRB1 P08588 2/20 0.61
CHRM3 P20309 1/20 0.56

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
SCHEMBL6110742 1.00 ADRB2 (0.81) ADRB2ADRB1CHRM3
SCHEMBL6110875 0.91 ADRB2 (0.93) ADRB2ADRB1CHRM3
SCHEMBL6110868 0.91 ADRB2 (0.93) ADRB2ADRB1CHRM3
SCHEMBL6111168 0.90 ADRB2 (0.81) ADRB2ADRB1CHRM3
SCHEMBL6111159 0.90 ADRB2 (0.81) ADRB2ADRB1CHRM3
SCHEMBL4384664 0.89 ADRB2 (1.00) ADRB2ADRB1CHRM3
SCHEMBL4384659 0.89 ADRB2 (1.00) ADRB2ADRB1CHRM3
SCHEMBL6110609 0.87 ADRB2 (0.82) ADRB2ADRB1CHRM3
SCHEMBL6110617 0.87 ADRB2 (0.82) ADRB2ADRB1CHRM3
SCHEMBL6110149 0.86 ADRB2 (0.80) ADRB2ADRB1CHRM3

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
WO-2006051373-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2006-05-18 WO claimed
WO-2006051373-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2006-05-18 WO disclosed