SCHEMBL6538836

SCHEMBL6538836

CCOC(=O)c1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.81
ADRB1 P08588 12/20 0.81
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL6539324 0.93 ADRB3 (0.80) ADRB3ADRB1MAPTNPC1RAB9A
Trifluoroacetic Acid SCHEMBL6539492 0.89 ADRB3 (0.73) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL6539825 0.89 ADRB3 (0.98) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6539152 0.87 ADRB3 (0.85) ADRB3ADRB1MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL6538586 0.87 ADRB3 (0.81) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL6538626 0.87 ADRB3 (1.00) ADRB3ADRB1MAPT
SCHEMBL6539241 0.86 ADRB3 (0.60) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL6539731 0.86 ADRB3 (1.00) ADRB3ADRB1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6538594 0.86 ADRB3 (0.98) ADRB3ADRB1MAPT
Trifluoroacetic Acid SCHEMBL6539079 0.85 ADRB3 (0.77) ADRB3ADRB1MEN1KMT2ANPC1

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