SCHEMBL6680679

SCHEMBL6680679

CCOC(=O)c1cc(S(=O)(=O)c2ccc(CCNC(C(=O)OC(C)(C)C)[C@H](O)c3cccc(Cl)c3)cc2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.36
ADRB1 P08588 5/20 0.36
ADRB2 P07550 1/20 0.36
CA2 P00918 2/20 0.36
CHRNA7 P36544 1/20 0.34
HAT1 O14929 3/20 0.34
EP300 Q09472 3/20 0.34
ADORA1 P30542 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6679366 0.92 ADRB3 (0.39) ADRB3ADRB1ADRB2CA2HAT1
SCHEMBL6677699 0.90 ADRB3 (0.37) ADRB3ADRB1ADRB2CA2CHRNA7
SCHEMBL6677357 0.89 ADRB3 (0.37) ADRB3ADRB1ADRB2CA2CHRNA7
SCHEMBL6677086 0.89 MAPT (0.36) ADRB3ADRB1ADRB2CA2HTT
SCHEMBL6681115 0.89 ADRB3 (0.37) ADRB3ADRB1ADRB2CA2CHRNA7
SCHEMBL6677162 0.87 ADRB3 (0.35) ADRB3ADRB1ADRB2CA2ADORA1
SCHEMBL6680598 0.84 ADRB3 (0.40) ADRB3ADRB1ADRB2CA2
SCHEMBL6677114 0.84 CA2 (0.33) ADRB3ADRB1CA2
SCHEMBL6680863 0.84 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL6676373 0.83 ADRB3 (0.40) ADRB3ADRB1ADRB2CA2

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