SCHEMBL6539324

SCHEMBL6539324

CCOC(=O)c1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.80
ADRB1 P08588 13/20 0.80
MAPT P10636 3/20 0.62
NAMPT P43490 1/20 0.49
ADRB2 P07550 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL6539492 0.96 ADRB3 (0.73) ADRB3ADRB1MAPTNAMPTADRB2
SCHEMBL6538836 0.93 ADRB3 (0.81) ADRB3ADRB1MAPTNPC1RAB9A
SCHEMBL6538626 0.89 ADRB3 (1.00) ADRB3ADRB1MAPTADRB2
SCHEMBL7531125 0.89 ADRB3 (0.86) ADRB3ADRB1MAPTADRB2NPC1
Hydrochloric Acid SCHEMBL6538594 0.88 ADRB3 (0.98) ADRB3ADRB1MAPTADRB2
SCHEMBL6539711 0.87 ADRB3 (0.83) ADRB3ADRB1MAPTADRB2
Trifluoroacetic Acid SCHEMBL6538740 0.87 ADRB3 (0.68) ADRB3ADRB1MAPT
SCHEMBL6539933 0.87 ADRB3 (0.85) ADRB3ADRB1MAPTADRB2
SCHEMBL7532101 0.85 ADRB3 (1.00) ADRB3ADRB1MAPTADRB2
SCHEMBL6538957 0.85 ADRB3 (0.73) ADRB3ADRB1MAPTADRB2

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 3 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
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed