SCHEMBL6553948

SCHEMBL6553948

COCNC(=O)c1cccc(S(=O)(=O)c2ccc(CCN(C[C@H](O)c3cccc(Cl)c3)C(=O)O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.39
ADRB1 P08588 6/20 0.39
ADRB2 P07550 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
NAMPT P43490 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 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
SCHEMBL6540905 0.89 ADRB3 (0.41) ADRB3ADRB1ADRB2
SCHEMBL6540908 0.89 ADRB3 (0.41) ADRB3ADRB1ADRB2
SCHEMBL6552762 0.86 ADRB3 (0.39) ADRB3ADRB1ADRB2ALDH1A1
SCHEMBL6541467 0.85 NAMPT (0.41) ADRB3ADRB1ADRB2NAMPT
SCHEMBL6541472 0.85 NAMPT (0.41) ADRB3ADRB1ADRB2NAMPT
SCHEMBL6552792 0.85 ADRB3 (0.40) ADRB3ADRB1ADRB2
SCHEMBL6541210 0.82 BACE1 (0.39) ADRB3ADRB1ADRB2CA1CA2
SCHEMBL6541213 0.82 BACE1 (0.39) ADRB3ADRB1ADRB2CA1CA2
SCHEMBL6800050 0.82 ADRB3 (0.39) ADRB3ADRB1ADRB2
SCHEMBL6800053 0.82 ADRB3 (0.39) 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-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed