SCHEMBL6687818

SCHEMBL6687818

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(CCCNC(Cc3ccccc3)[C@H](O)c3cccc(Cl)c3)cc2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.39
ADRB1 P08588 7/20 0.39
ADORA1 P30542 1/20 0.36
ADRB2 P07550 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CHRNA7 P36544 1/20 0.34
SLC2A1 P11166 1/20 0.34
EPHX2 P34913 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
HAT1 O14929 1/20 0.34
EP300 Q09472 1/20 0.34

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
SCHEMBL6679530 0.94 ADORA1 (0.38) ADRB3ADRB1ADORA1ADRB2KMT2A
SCHEMBL6679246 0.89 ADORA1 (0.40) ADRB3ADRB1ADORA1ADRB2KMT2A
SCHEMBL6677081 0.89 CYP4F2 (0.42) ADRB3ADRB1ADRB2KMT2AALDH1A1
SCHEMBL6677033 0.86 ADRB3 (0.44) ADRB3ADRB1ADRB2ALDH1A1
SCHEMBL6681933 0.85 ADRB3 (0.42) ADRB3ADRB1ADRB2KMT2AALDH1A1
SCHEMBL6678770 0.85 ADRB3 (0.43) ADRB3ADRB1HAT1EP300
SCHEMBL6680801 0.85 ADRB3 (0.46) ADRB3ADRB1KMT2AALDH1A1MAPT
SCHEMBL6676613 0.83 SIGMAR1 (0.39) ADRB3ADRB1ADRB2KMT2ASMN1; SMN2
SCHEMBL6681939 0.83 ADRB3 (0.38) ADRB3ADRB1ADORA1ADRB2KMT2A
Hydrochloric Acid SCHEMBL6678369 0.82 ADRB3 (0.53) ADRB3ADRB1

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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed