SCHEMBL7701575

SCHEMBL7701575

CC(C)(C)[Si](Oc1ccc(OCC(O)CNCCc2ccc(NC3CCN(C(=O)NCc4c(F)cccc4F)CC3)cc2)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.76
ADRB1 P08588 17/20 0.76
ADRB2 P07550 2/20 0.53

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
SCHEMBL7092367 1.00 ADRB3 (0.76) ADRB3ADRB1ADRB2
SCHEMBL7095222 0.94 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL7094940 0.92 ADRB3 (0.74) ADRB3ADRB1ADRB2
SCHEMBL7095045 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL7702003 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL7094732 0.91 ADRB3 (0.69) ADRB3ADRB1ADRB2
SCHEMBL7091371 0.91 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL7570375 0.91 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7094990 0.90 ADRB3 (0.63) ADRB3ADRB1ADRB2
SCHEMBL7091815 0.90 ADRB3 (0.76) ADRB3ADRB1ADRB2

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-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed