SCHEMBL7041485

SCHEMBL7041485

CS(=O)(=O)Nc1cc(C(O)CNCC(C(=O)O)c2ccccc2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 18/20 0.71
▸ ADRB2 P07550 2/20 0.61

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
SCHEMBL7038490 0.89 ADRB3 (0.66) ADRB3ADRB2
SCHEMBL27432957 0.89 ADRB3 (0.64) ADRB3ADRB2
SCHEMBL7040736 0.86 ADRB3 (0.69) ADRB3ADRB2
SCHEMBL7610750 0.81 ADRB3 (0.69) ADRB3ADRB2
SCHEMBL7605269 0.81 ADRB3 (0.69) ADRB3ADRB2
SCHEMBL11747553 0.81 ADRB3 (0.74) ADRB3ADRB2
Hydrochloric Acid SCHEMBL11744017 0.80 ADRB3 (0.72) ADRB3ADRB2
SCHEMBL3136753 0.80 ADRB3 (0.72) ADRB3ADRB2
SCHEMBL7610796 0.80 ADRB3 (0.67) ADRB3ADRB2
SCHEMBL5143889 0.79 ADRB3 (0.69) ADRB3ADRB2

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
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