SCHEMBL6538684

SCHEMBL6538684

C[Si](C)(C)OC[C@H](Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)N(C[C@@H](COc1ccccc1)O[Si](C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.44
ADRB3 P13945 5/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 5/20 0.41
ADRB2 P07550 1/20 0.40
PPIA P62937 2/20 0.40
PPIF P30405 1/20 0.40
ACHE P22303 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MYOC Q99972 1/20 0.37
HTT P42858 1/20 0.37
PABPC1 P11940 1/20 0.37

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 0.93 ADRB1 (0.54) ADRB1ADRB3MAPK1ALDH1A1PKM
SCHEMBL6539211 0.93 ADRB1 (0.54) ADRB1ADRB3MAPK1ALDH1A1PKM
SCHEMBL6539338 0.83 ADRB1 (0.39) ADRB1ADRB3MAPK1ALDH1A1ADRB2
SCHEMBL6539708 0.72 ADRB3 (0.36) ADRB3
SCHEMBL6539595 0.67 MAPT (0.48) ADRB1ADRB3ALDH1A1MAPTADRB2
SCHEMBL6538911 0.66 ADRB3 (0.56) ADRB1ADRB3MEN1KMT2AMAPT
SCHEMBL6539156 0.66 ADRB1 (0.53) ADRB1ADRB3MAPTADRB2
SCHEMBL6539710 0.66 ADRB1 (0.53) ADRB1ADRB3MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL6539290 0.65 ADRB3 (0.79) ADRB1ADRB3MAPK1ALDH1A1PKM
SCHEMBL6539510 0.64 ADRB1 (0.59) ADRB1ADRB3MAPTADRB2

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