SCHEMBL6509325

SCHEMBL6509325

CC(=O)N1CCCN(C(=O)Cc2cccc(CC(C)(C)NCC(O)c3ccc(O)cc3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.48
ADRB1 P08588 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM3 P20309 1/20 0.38

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
SCHEMBL6508632 0.98 ADRB2 (0.49) ADRB2ADRB1POLBCHRM3
SCHEMBL3918574 0.93 ADRB2 (0.46) ADRB2ADRB1POLBMEN1KMT2A
SCHEMBL6529084 0.92 ADRB2 (0.51) ADRB2ADRB1POLBMEN1KMT2A
SCHEMBL6506995 0.92 ADRB2 (0.47) ADRB2ADRB1POLB
SCHEMBL3913912 0.91 ADRB2 (0.47) ADRB2ADRB1POLBMEN1KMT2A
SCHEMBL6533340 0.91 ADRB2 (0.49) ADRB2ADRB1POLB
SCHEMBL6530357 0.87 ADRB2 (0.47) ADRB2ADRB1POLBMEN1KMT2A
SCHEMBL6528628 0.85 ADRB2 (0.46) ADRB2ADRB1
SCHEMBL3913917 0.85 ADRB2 (0.49) ADRB2ADRB1POLBMEN1KMT2A
SCHEMBL3915484 0.84 ADRB2 (0.45) ADRB2ADRB1POLBKMT2A

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