SCHEMBL6539488

SCHEMBL6539488

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.57
ADRB1 P08588 10/20 0.57
MAPT P10636 6/20 0.46
NAMPT P43490 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CASP3 P42574 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CASR P41180 1/20 0.41

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
SCHEMBL6539241 0.94 ADRB3 (0.60) ADRB3ADRB1MAPTMEN1KMT2A
SCHEMBL6538734 0.92 ADRB3 (0.54) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL6541344 0.89 ADRB3 (0.58) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6539964 0.89 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL6539718 0.88 ADRB3 (0.61) ADRB3ADRB1NPC1RAB9ASMN1; SMN2
SCHEMBL6539092 0.88 ADRB3 (0.62) ADRB3ADRB1MAPT
Trifluoroacetic Acid SCHEMBL6539492 0.88 ADRB3 (0.73) ADRB3ADRB1MAPTNAMPTMEN1
SCHEMBL7532289 0.86 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL6539506 0.86 ADRB3 (0.59) ADRB3ADRB1NPC1RAB9A
SCHEMBL6539720 0.85 ADRB3 (0.60) ADRB3ADRB1MAPTMEN1KMT2A

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