SCHEMBL28751608

SCHEMBL28751608

CC(C)C(NC(=O)c1ccc(N2CCC(NCC(O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 1.00
ADRB2 P07550 15/20 1.00
ADRB1 P08588 13/20 0.81

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
SCHEMBL7170154 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074395 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074399 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074148 0.92 ADRB3 (0.85) ADRB3ADRB2ADRB1
SCHEMBL6074142 0.92 ADRB3 (0.85) ADRB3ADRB2ADRB1
SCHEMBL6074276 0.91 ADRB3 (0.83) ADRB3ADRB2ADRB1
SCHEMBL6074267 0.91 ADRB3 (0.83) ADRB3ADRB2ADRB1
SCHEMBL7167677 0.89 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL28751611 0.89 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074181 0.89 ADRB3 (1.00) ADRB3ADRB2ADRB1

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 2 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