SCHEMBL4675124

SCHEMBL4675124

O=S(=O)(Nc1ccc2oc3ccccc3c2c1)c1ccc2c(c1)CC[C@H](CNC[C@H](O)c1cccnc1)O2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.46
ADRB1 P08588 19/20 0.46
ADRB3 P13945 17/20 0.46
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4671845 0.85 ADRB2 (0.57) ADRB2ADRB1ADRB3
SCHEMBL4672343 0.84 ADRB2 (0.58) ADRB2ADRB1ADRB3
SCHEMBL4670076 0.83 ADRB3 (0.44) ADRB2ADRB1ADRB3
SCHEMBL6734914 0.83 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL4673506 0.82 ADRB3 (0.49) ADRB2ADRB1ADRB3TSHRHTT
SCHEMBL4672102 0.82 ADRB3 (0.41) ADRB2ADRB1ADRB3
SCHEMBL4672101 0.82 ADRB3 (0.41) ADRB2ADRB1ADRB3
SCHEMBL4670116 0.82 ADRB3 (0.41) ADRB2ADRB1ADRB3
SCHEMBL4670486 0.82 ADRB3 (0.41) ADRB2ADRB1ADRB3
SCHEMBL4671887 0.82 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