SCHEMBL7975458

SCHEMBL7975458

COC(=O)c1cccc(-c2cccc(NCCCN(C[C@@H](O[Si](C)(C)C(C)(C)C)c3cccc(Cl)c3)C(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
ADRB3 P13945 3/20 0.44
CNR2 P34972 14/20 0.37
CNR1 P21554 4/20 0.36

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
SCHEMBL6438415 0.96 ADRB2 (0.45) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6438418 0.96 ADRB2 (0.45) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6436883 0.90 ADRB2 (0.43) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6436886 0.90 ADRB2 (0.43) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6436894 0.87 ADRB1 (0.44) ADRB2ADRB1ADRB3
SCHEMBL6432465 0.86 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6432460 0.86 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL5949915 0.86 ADRB1 (0.43) ADRB2ADRB1ADRB3
SCHEMBL5950125 0.86 ADRB1 (0.44) ADRB2ADRB1ADRB3
SCHEMBL7975452 0.85 ADRB1 (0.42) ADRB2ADRB1ADRB3CNR2CNR1

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-2001042217-A1 BETA-3 ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-14 WO disclosed