SCHEMBL4773347

SCHEMBL4773347

CC(C)(CCn1cnc2ccc(OC(=O)O)nc21)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.42
ADRB2 P07550 3/20 0.36
ADRB1 P08588 2/20 0.36
HPGD P15428 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL4772787 1.00 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4775581 0.92 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4773319 0.92 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4778948 0.89 ADRB3 (0.37) ADRB3HPGDNR1I2
SCHEMBL4772779 0.89 ADRB3 (0.44) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4773343 0.89 ADRB3 (0.44) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4889589 0.89 ADRB3 (0.44) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4837965 0.88 ADRB3 (0.41) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4775545 0.87 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4893736 0.86 ADRB3 (0.43) ADRB3ADRB2ADRB1HPGD

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-1945304-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-23 EP disclosed
WO-2007048843-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed