SCHEMBL6539512

SCHEMBL6539512

COc1cccc(C(=O)Nc2ccc(C[C@@H](CO)N(Cc3ccccc3)C[C@H](O)COc3ccccc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.52
ADRB3 P13945 7/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL6539381 0.92 ADRB1 (0.54) ADRB1ADRB3MEN1KMT2ALMNA
SCHEMBL6538563 0.91 ADRB1 (0.54) ADRB1ADRB3MEN1KMT2ALMNA
SCHEMBL6539030 0.90 KDM4E (0.47) ADRB1ADRB3MEN1KMT2ALMNA
SCHEMBL6538597 0.88 NR1H4 (0.48) ADRB1ADRB3MEN1KMT2ANPC1
SCHEMBL6538889 0.88 ADRB1 (0.49) ADRB1ADRB3MEN1KMT2ALMNA
SCHEMBL6538732 0.88 ADRB1 (0.50) ADRB1ADRB3MEN1KMT2ALMNA
SCHEMBL6540060 0.87 ADRB1 (0.48) ADRB1ADRB3MEN1KMT2ALMNA
SCHEMBL6538485 0.86 ADRB1 (0.47) ADRB1ADRB3MEN1KMT2ALMNA
SCHEMBL6538663 0.85 ADRB1 (0.48) ADRB1ADRB3MEN1KMT2ALMNA
SCHEMBL6539155 0.85 RAB9A (0.54) ADRB1ADRB3MEN1KMT2ALMNA

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