SCHEMBL6538469

SCHEMBL6538469

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADRB1 P08588 9/20 0.46
ADRB3 P13945 9/20 0.46
POLB P06746 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PPIA P62937 1/20 0.41
BACE1 P56817 1/20 0.39
MITF O75030 1/20 0.39
PAX8 Q06710 1/20 0.39
NAMPT P43490 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6539595 0.94 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ADRB1
SCHEMBL6539353 0.88 ADRB1 (0.42) MEN1KMT2AMAPTSMN1; SMN2ADRB1
SCHEMBL6539352 0.83 ADRB1 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6540414 0.81 ADRB1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6539522 0.78 ADRB1 (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6538836 0.74 ADRB3 (0.81) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6539067 0.74 ADRB1 (0.49) ADRB1ADRB3BACE1
SCHEMBL6539338 0.73 ADRB1 (0.39) NPC1RAB9ASMN1; SMN2ADRB1ADRB3
SCHEMBL6539299 0.72 ADRB3 (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6538657 0.72 ADRB1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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