SCHEMBL6503586

SCHEMBL6503586

CC(C)(Cc1cccc(CC(=O)N2CCc3ccccc3C2)c1)NCC(O)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL3923156 0.93 ADRB2 (0.46) ADRB2NPC1RAB9AKMT2AMEN1
SCHEMBL4386833 0.88 ADRB2 (0.65) ADRB2
SCHEMBL6508746 0.87 ADRB2 (0.52) ADRB2NPC1RAB9APRMT5WDR77
SCHEMBL6533340 0.86 ADRB2 (0.49) ADRB2
SCHEMBL6529084 0.86 ADRB2 (0.51) ADRB2KMT2AMEN1
SCHEMBL6508632 0.84 ADRB2 (0.49) ADRB2
SCHEMBL6506995 0.84 ADRB2 (0.47) ADRB2
SCHEMBL2452475 0.83 ADRB2 (0.63) ADRB2
SCHEMBL2452118 0.83 ADRB2 (0.63) ADRB2
SCHEMBL6509325 0.83 ADRB2 (0.48) ADRB2KMT2AMEN1

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