SCHEMBL6679264

SCHEMBL6679264

COC(=O)Nc1ccc(S(=O)(=O)c2ccc(CCNC(C(=O)OC(C)(C)C)[C@H](O)c3cccc(Cl)c3)cc2)cc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.36
ADRB1 P08588 9/20 0.36
CA2 P00918 1/20 0.36
ADRB2 P07550 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
HAT1 O14929 1/20 0.32
EP300 Q09472 1/20 0.32

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
SCHEMBL6683334 0.94 ADRB3 (0.42) ADRB3ADRB1CA2ADRB2KMT2A
SCHEMBL6679493 0.87 ADRB3 (0.47) ADRB3ADRB1ADRB2MAPTKMT2A
SCHEMBL6677699 0.87 ADRB3 (0.37) ADRB3ADRB1CA2ADRB2LMNA
SCHEMBL6681894 0.87 ADRB3 (0.42) ADRB3ADRB1CA2ADRB2KMT2A
SCHEMBL6676373 0.86 ADRB3 (0.40) ADRB3ADRB1CA2ADRB2
SCHEMBL6681115 0.85 ADRB3 (0.37) ADRB3ADRB1CA2ADRB2MAPT
SCHEMBL6677357 0.85 ADRB3 (0.37) ADRB3ADRB1CA2ADRB2POLB
SCHEMBL6677162 0.85 ADRB3 (0.35) ADRB3ADRB1CA2ADRB2MAPT
SCHEMBL6680598 0.85 ADRB3 (0.40) ADRB3ADRB1CA2ADRB2
SCHEMBL6677474 0.85 ADRB3 (0.40) 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 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