SCHEMBL6239482

SCHEMBL6239482

COc1cc(C(=O)O)ccc1-c1ccc(CCCNC(C(=O)OC(C)(C)C)[C@H](O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.48
ADRB3 P13945 6/20 0.48
SCN9A Q15858 3/20 0.36
SCN5A Q14524 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 6/20 0.35
ROCK1 Q13464 6/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PTAFR P25105 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL6241438 0.92 ADRB1 (0.39) ADRB1ADRB3SCN9ASCN5AMEN1
SCHEMBL6242734 0.89 ADRB1 (0.40) ADRB1ADRB3MEN1KMT2A
SCHEMBL4468034 0.80 ADRB3 (0.46) ADRB1ADRB3SCN9ASCN5AROCK2
SCHEMBL4478505 0.79 ADRB3 (0.47) ADRB1ADRB3SCN9ASCN5AROCK2
SCHEMBL6242949 0.77 ADRB3 (0.54) ADRB1ADRB3
SCHEMBL6245004 0.75 ADRB3 (0.49) ADRB1ADRB3
SCHEMBL6238758 0.75 ADRB3 (0.51) ADRB1ADRB3PTAFR
SCHEMBL6240879 0.74 ADRB3 (0.55) ADRB1ADRB3ROCK2ROCK1
SCHEMBL6243377 0.73 ADRB1 (0.42) ADRB1ADRB3
SCHEMBL4458979 0.73 ADRB1 (0.38) ADRB1ADRB3SCN9ASCN5AROCK2

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-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed