SCHEMBL6539155

SCHEMBL6539155

O=C(Nc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ADRB1 P08588 6/20 0.46
ADRB3 P13945 6/20 0.46
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ADRB2 P07550 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6538563 0.91 ADRB1 (0.54) RAB9ASMN1; SMN2NPC1ADRB1ADRB3
SCHEMBL6538732 0.88 ADRB1 (0.50) RAB9ASMN1; SMN2NPC1ADRB1ADRB3
SCHEMBL6538663 0.85 ADRB1 (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1ADRB1
SCHEMBL6540060 0.85 ADRB1 (0.48) RAB9ANPC1ADRB1ADRB3LMNA
SCHEMBL6539030 0.85 KDM4E (0.47) ADRB1ADRB3LMNAKMT2AMEN1
SCHEMBL6539512 0.85 ADRB1 (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1ADRB1
SCHEMBL6538889 0.85 ADRB1 (0.49) ALDH1A1ADRB1ADRB3LMNAKMT2A
SCHEMBL6538597 0.85 NR1H4 (0.48) RAB9ANPC1ADRB1ADRB3KMT2A
SCHEMBL6539381 0.85 ADRB1 (0.54) RAB9ANPC1ALDH1A1ADRB1ADRB3
SCHEMBL6538485 0.84 ADRB1 (0.47) RAB9ANPC1ADRB1ADRB3LMNA

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