SCHEMBL6508746

SCHEMBL6508746

CC(C)(Cc1cccc(CC(=O)N2CCc3ccccc3C2)c1)NCC(O)c1ccc(O)c(NC(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.52
CHRM3 P20309 1/20 0.42
ADRB1 P08588 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL4386833 0.88 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL6503586 0.87 ADRB2 (0.48) ADRB2PRMT5WDR77NPC1RAB9A
SCHEMBL3923156 0.85 ADRB2 (0.46) ADRB2PRMT5WDR77NPC1RAB9A
SCHEMBL6515169 0.85 ADRB2 (0.53) ADRB2CHRM3ADRB1
SCHEMBL6515181 0.85 ADRB2 (0.53) ADRB2CHRM3ADRB1
SCHEMBL6504599 0.85 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL6506203 0.85 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL6506207 0.85 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL2452118 0.84 ADRB2 (0.63) ADRB2CHRM3
SCHEMBL2452475 0.84 ADRB2 (0.63) 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