SCHEMBL4671845

SCHEMBL4671845

O=S(=O)(Nc1ccc2c(c1)CCC(CNCC(O)c1cccnc1)O2)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.57
ADRB1 P08588 20/20 0.57
ADRB3 P13945 18/20 0.57

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
SCHEMBL4672343 0.93 ADRB2 (0.58) ADRB2ADRB1ADRB3
SCHEMBL6283997 0.91 ADRB2 (0.52) ADRB2ADRB1ADRB3
SCHEMBL4672072 0.89 ADRB3 (0.42) ADRB2ADRB1ADRB3
SCHEMBL6281088 0.88 ADRB2 (0.48) ADRB2ADRB1ADRB3
SCHEMBL6281091 0.88 ADRB2 (0.48) ADRB2ADRB1ADRB3
SCHEMBL4675124 0.85 ADRB2 (0.46) ADRB2ADRB1ADRB3
SCHEMBL6284857 0.84 ADRB2 (0.46) ADRB2ADRB1ADRB3
SCHEMBL6284831 0.84 ADRB2 (0.46) ADRB2ADRB1ADRB3
SCHEMBL6277983 0.84 ADRB2 (0.46) ADRB2ADRB1ADRB3
SCHEMBL4670486 0.84 ADRB3 (0.41) ADRB2ADRB1ADRB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed