SCHEMBL7701957

SCHEMBL7701957

COc1cccc(CNC(=O)N2CCC(Nc3ccc(CCNCC(O)COc4ccc(O)cc4)cc3)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.76
ADRB1 P08588 16/20 0.76
ADRB2 P07550 1/20 0.68

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
SCHEMBL7091838 1.00 ADRB3 (0.76) ADRB3ADRB1ADRB2
SCHEMBL7092781 0.91 ADRB3 (0.84) ADRB3ADRB1ADRB2
SCHEMBL7703081 0.91 ADRB3 (0.84) ADRB3ADRB1ADRB2
SCHEMBL7234421 0.88 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL7095892 0.88 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL7092312 0.87 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL7161980 0.87 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL7091306 0.87 ADRB3 (0.88) ADRB3ADRB1ADRB2
SCHEMBL7096559 0.86 ADRB3 (0.76) ADRB3ADRB1ADRB2
SCHEMBL7091566 0.86 ADRB3 (1.00) 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