SCHEMBL7201632

SCHEMBL7201632

CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 1.00
ADRB2 P07550 15/20 1.00
ADRB1 P08588 13/20 1.00
ADRA2A P08913 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
ADRA1B P35368 1/20 0.67

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
SCHEMBL6074261 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074265 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL27580823 0.94 ADRB3 (0.89) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL27581187 0.91 ADRB3 (1.00) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6073667 0.91 ADRB3 (1.00) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6073664 0.91 ADRB3 (1.00) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074600 0.90 ADRB3 (0.81) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074603 0.90 ADRB3 (0.81) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074543 0.88 ADRB3 (1.00) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074538 0.88 ADRB3 (1.00) ADRB3ADRB2ADRB1ADRA2AADRA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN claimed
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed