SCHEMBL6539241

SCHEMBL6539241

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.60
ADRB1 P08588 10/20 0.60
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 2/20 0.45
MITF O75030 1/20 0.44
PAX8 Q06710 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PPIA P62937 1/20 0.42
TRPV1 Q8NER1 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
SCHEMBL6539488 0.94 ADRB3 (0.57) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6539082 0.90 ADRB3 (0.62) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6539550 0.89 ADRB3 (0.61) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6539775 0.88 ADRB3 (0.59) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6538734 0.87 ADRB3 (0.54) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL6539734 0.87 ADRB3 (0.62) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6538836 0.86 ADRB3 (0.81) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6539448 0.85 ADRB3 (0.58) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6539718 0.84 ADRB3 (0.61) ADRB3ADRB1NPC1RAB9ASMN1; SMN2
SCHEMBL6541344 0.84 ADRB3 (0.58) 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