SCHEMBL6505181

SCHEMBL6505181

CC(C)(Cc1cccc(CC(=O)NCc2ccccc2C(F)(F)F)c1)NCC(O)c1ccc(O)c(NC(N)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.64
ADRB1 P08588 1/20 0.49
CHRM3 P20309 2/20 0.47

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
SCHEMBL6509152 0.88 ADRB2 (0.69) ADRB2ADRB1CHRM3
SCHEMBL6507981 0.88 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL6509832 0.87 ADRB2 (0.71) ADRB2CHRM3
SCHEMBL6507640 0.87 ADRB2 (0.69) ADRB2ADRB1CHRM3
SCHEMBL6529738 0.86 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL6511694 0.85 ADRB2 (0.71) ADRB2CHRM3
SCHEMBL3924136 0.85 ADRB2 (0.61) ADRB2ADRB1CHRM3
SCHEMBL6506343 0.84 ADRB2 (0.67) ADRB2CHRM3
SCHEMBL6509104 0.84 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL6509816 0.84 ADRB2 (0.80) ADRB2CHRM3

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