SCHEMBL6539708

SCHEMBL6539708

CC(C)(C)OC(=O)N(C[C@@H](COc1ccccc1)O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)Cc1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.36
BACE1 P56817 1/20 0.33
MAOB P27338 1/20 0.32
ALOX5 P09917 1/20 0.31
PTPN1 P18031 2/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL6539338 0.81 ADRB1 (0.39) ADRB3
SCHEMBL6540224 0.78 BACE1 (0.43) ADRB3BACE1
SCHEMBL6538543 0.78 BACE1 (0.43) ADRB3BACE1
SCHEMBL18651963 0.77 ALOX5 (0.36) ADRB3BACE1MAOBALOX5
SCHEMBL6539595 0.72 MAPT (0.48) ADRB3
SCHEMBL6539353 0.70 ADRB1 (0.42) ADRB3BACE1
SCHEMBL6538469 0.70 MEN1 (0.47) ADRB3BACE1
SCHEMBL6539211 0.69 ADRB1 (0.54) ADRB3
SCHEMBL20083645 0.69 BACE1 (0.36) ADRB3BACE1
SCHEMBL7120714 0.68 ADRB3 (0.49) ADRB3ALOX5

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