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SCHEMBL7040662

SCHEMBL7040662

COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1

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 2/20 0.80
▸ ADRB1 P08588 1/20 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
SCHEMBL7039402 0.97 ADRB3 (0.94) ADRB3ADRB2ADRB1
SCHEMBL7037926 0.95 ADRB3 (0.91) ADRB3ADRB2ADRB1
SCHEMBL7042094 0.93 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7037490 0.92 ADRB3 (1.00) ADRB3
SCHEMBL7040788 0.91 ADRB3 (0.83) ADRB3ADRB2ADRB1
SCHEMBL7037186 0.91 ADRB3 (0.83) ADRB3ADRB2ADRB1
SCHEMBL7036803 0.91 ADRB3 (0.83) ADRB3ADRB2ADRB1
SCHEMBL7042488 0.90 ADRB3 (1.00) ADRB3
SCHEMBL7040975 0.90 ADRB3 (1.00) ADRB3
SCHEMBL7040981 0.90 ADRB3 (1.00) ADRB3

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
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 — — EP claimed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 — — EP claimed
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 — — EP disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 — — EP disclosed