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SCHEMBL7975452

SCHEMBL7975452

COC(=O)c1cccc(-c2cccc(NC[C@@H](C)N(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 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 11/20 0.42
▸ ADRB3 P13945 11/20 0.42
▸ ADRB2 P07550 10/20 0.42
▸ CNR2 P34972 9/20 0.37
▸ CNR1 P21554 1/20 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
SCHEMBL7975450 1.00 ADRB1 (0.42) ADRB1ADRB3ADRB2CNR2CNR1
SCHEMBL7977640 0.90 ADRB1 (0.49) ADRB1ADRB3ADRB2
SCHEMBL7977641 0.90 ADRB1 (0.49) ADRB1ADRB3ADRB2
SCHEMBL6435349 0.89 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL6435351 0.89 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL6432603 0.88 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6432600 0.88 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6438761 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL6436890 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL6436892 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2

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