SCHEMBL6539211

SCHEMBL6539211

C[Si](C)(C)OC[C@H](Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)N(C[C@@H](COc1ccccc1)O[Si](C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.54
ADRB3 P13945 3/20 0.54
ADRB2 P07550 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
ALDH1A1 P00352 3/20 0.42
BAZ1A Q9NRL2 2/20 0.42
MAPT P10636 5/20 0.42
PPIA P62937 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HTT P42858 3/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
DDX3X O00571 1/20 0.40

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
SCHEMBL6539214 1.00 ADRB1 (0.54) ADRB1ADRB3ADRB2GAAKMT2A
SCHEMBL6538684 0.93 ADRB1 (0.44) ADRB1ADRB3ADRB2KMT2AMEN1
SCHEMBL6539338 0.80 ADRB1 (0.39) ADRB1ADRB3ADRB2ALDH1A1PPIA
SCHEMBL6539708 0.69 ADRB3 (0.36) ADRB3
SCHEMBL6538469 0.68 MEN1 (0.47) ADRB1ADRB3KMT2AMEN1MAPT
SCHEMBL6538564 0.68 ADRB3 (0.55) ADRB1ADRB3ADRB2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL6539793 0.67 ADRB3 (0.92) ADRB1ADRB3ADRB2KMT2AMEN1
SCHEMBL4106750 0.67 MEN1 (0.68) GAAKMT2AMEN1ALDH1A1BAZ1A
SCHEMBL6539299 0.67 ADRB3 (0.57) ADRB1ADRB3ADRB2KMT2AMEN1
SCHEMBL6129390 0.66 MEN1 (0.90) GAAKMT2AMEN1ALDH1A1BAZ1A

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
US-6826033-B2 BETA 3 ADRENERGIC RECEPTOR AGONISTS; TREATMENT OF POLLAKIURIA, URINARY INCONTINENCE, OBESITY OR DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20040037022-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-02-26 US disclosed