SCHEMBL7699697

SCHEMBL7699697

CNC(=O)N1CCC(Nc2ccc(CCNCC(O)COc3ccc(O)cc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 1.00
ADRB1 P08588 17/20 1.00
ADRB2 P07550 4/20 0.80

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
SCHEMBL7094593 1.00 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7701777 0.91 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7092794 0.91 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7095987 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7091464 0.90 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7095903 0.90 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7096869 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7145977 0.89 ADRB3 (0.81) ADRB3ADRB1ADRB2
SCHEMBL7090670 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7094547 0.88 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