SCHEMBL6539030

SCHEMBL6539030

O=C(Nc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ADRB1 P08588 12/20 0.46
ADRB3 P13945 12/20 0.46
ADRB2 P07550 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
LMNA P02545 1/20 0.41
SLC2A1 P11166 1/20 0.40

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) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL6538663 0.91 ADRB1 (0.48) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL6539512 0.90 ADRB1 (0.52) KDM4EADRB1ADRB3ADRB2MEN1
SCHEMBL6538597 0.88 NR1H4 (0.48) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL6538732 0.88 ADRB1 (0.50) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL6540060 0.85 ADRB1 (0.48) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL6539155 0.85 RAB9A (0.54) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL6538889 0.85 ADRB1 (0.49) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL6539381 0.85 ADRB1 (0.54) KDM4EADRB1ADRB3ADRB2MEN1
SCHEMBL6538485 0.84 ADRB1 (0.47) ADRB1ADRB3ADRB2MEN1KMT2A

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