SCHEMBL6511694

SCHEMBL6511694

CC(C)(Cc1cccc(CC(=O)NCc2ccc(Cl)cc2Cl)c1)NCC(O)c1ccc(O)c(NC(N)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.71
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
CHRM3 P20309 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL5041898 0.89 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL5041896 0.89 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL6509816 0.88 ADRB2 (0.80) ADRB2CHRM3
SCHEMBL6507981 0.85 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL6505181 0.85 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL3914499 0.85 ADRB2 (0.66) ADRB2ERCC1ERCC4CHRM3LMNA
SCHEMBL13840726 0.85 ADRB2 (0.66) ADRB2ERCC1ERCC4CHRM3LMNA
SCHEMBL6509832 0.84 ADRB2 (0.71) ADRB2CHRM3
SCHEMBL6507640 0.84 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL5998102 0.84 ADRB2 (0.90) 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