SCHEMBL7039307

SCHEMBL7039307

CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccncc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 1.00

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
SCHEMBL7039312 1.00 ADRB3 (1.00) ADRB3
SCHEMBL7037490 0.93 ADRB3 (1.00) ADRB3
SCHEMBL7037443 0.89 ADRB3 (1.00) ADRB3
SCHEMBL7042311 0.88 ADRB3 (1.00) ADRB3
SCHEMBL7042870 0.88 ADRB3 (1.00) ADRB3
SCHEMBL7113996 0.88 ADRB3 (1.00) ADRB3
SCHEMBL7114004 0.88 ADRB3 (1.00) ADRB3
SCHEMBL7113998 0.88 ADRB3 (1.00) ADRB3
SCHEMBL7039379 0.87 ADRB3 (0.86) ADRB3
SCHEMBL7040662 0.87 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 3 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-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