SCHEMBL6600832

SCHEMBL6600832

COC(=O)c1ccccc1-c1ccc2c(c1)CC[C@H](CNCC(O)c1cccnc1)O2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.44
ADRB1 P08588 7/20 0.44
ADRB2 P07550 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
FFAR4 Q5NUL3 2/20 0.41
KMT2A Q03164 1/20 0.38

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
SCHEMBL6278006 1.00 ADRB3 (0.44) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6278009 1.00 ADRB3 (0.44) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6281145 0.91 ADRB3 (0.47) ADRB3ADRB1ADRB2FFAR4
SCHEMBL6281148 0.91 ADRB3 (0.47) ADRB3ADRB1ADRB2FFAR4
SCHEMBL6285889 0.87 ADRB3 (0.44) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6285896 0.87 ADRB3 (0.44) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6284130 0.84 ADRB3 (0.49) ADRB3ADRB1ADRB2FFAR4
SCHEMBL6284145 0.84 ADRB3 (0.49) ADRB3ADRB1ADRB2FFAR4
SCHEMBL6284190 0.84 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL6284175 0.84 ADRB3 (0.52) ADRB3ADRB1ADRB2

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-1389202-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Pharmaceuticals Corporation (US) 2004-02-18 EP disclosed
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 WO disclosed