SCHEMBL6507981

SCHEMBL6507981

COc1ccccc1CNC(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c(NC(N)=O)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.64
POLB P06746 1/20 0.48
CHRM3 P20309 2/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 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
SCHEMBL6507379 0.91 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL5041871 0.90 ADRB2 (0.80) ADRB2CHRM3
SCHEMBL5041878 0.90 ADRB2 (0.80) ADRB2CHRM3
SCHEMBL6509104 0.88 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL6506343 0.88 ADRB2 (0.67) ADRB2CHRM3
SCHEMBL6505181 0.88 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL6509832 0.87 ADRB2 (0.71) ADRB2CHRM3
SCHEMBL6511694 0.85 ADRB2 (0.71) ADRB2CHRM3
SCHEMBL3921159 0.85 ADRB2 (0.61) ADRB2POLBCHRM3MEN1NPC1
SCHEMBL13840804 0.85 ADRB2 (0.61) ADRB2POLBCHRM3MEN1NPC1

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