SCHEMBL7039871

SCHEMBL7039871

COc1ccc(C(Cc2cccs2)NCC(O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.63
ADRB2 P07550 2/20 0.51
ADRB1 P08588 1/20 0.51

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
SCHEMBL7039875 1.00 ADRB3 (0.63) ADRB3ADRB2ADRB1
SCHEMBL7043995 0.82 ADRB3 (0.80) ADRB3ADRB2ADRB1
SCHEMBL6321884 0.81 ADRB3 (0.58) ADRB3
SCHEMBL6322651 0.81 ADRB3 (0.58) ADRB3
SCHEMBL7039199 0.81 ADRB3 (0.75) ADRB3
SCHEMBL5209785 0.81 ADRB3 (0.64) ADRB3
SCHEMBL6321752 0.79 ADRB3 (0.57) ADRB3
SCHEMBL7042337 0.78 ADRB3 (0.71) ADRB3
SCHEMBL7040662 0.78 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7039402 0.76 ADRB3 (0.94) 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
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