SCHEMBL7036759

SCHEMBL7036759

CC[Si](CC)(CC)O[C@@H](c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1)[C@@H](C)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.49
ADRB2 P07550 5/20 0.36
ADRB1 P08588 4/20 0.36
TRPV1 Q8NER1 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL9236113 0.86 ADRB3 (0.57) ADRB3ADRB2ADRB1
SCHEMBL7041424 0.86 ADRB3 (0.57) ADRB3ADRB2ADRB1
SCHEMBL7044158 0.86 ADRB3 (0.57) ADRB3ADRB2ADRB1
SCHEMBL7039828 0.76 ADRB3 (0.71) ADRB3
SCHEMBL7042543 0.74 ADRB3 (0.60) ADRB3ADRB2ADRB1
SCHEMBL7042548 0.74 ADRB3 (0.60) ADRB3ADRB2ADRB1
SCHEMBL7041150 0.74 ADRB3 (0.74) ADRB3
SCHEMBL7039442 0.74 ADRB3 (0.74) ADRB3
SCHEMBL7037348 0.74 ADRB3 (0.74) ADRB3
SCHEMBL7040072 0.74 ADRB3 (0.74) 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 2 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 disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP disclosed