SCHEMBL6814447

SCHEMBL6814447

CCOC(=O)COc1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.75
ADRB2 P07550 2/20 0.50
LMNA P02545 2/20 0.50
HIF1A Q16665 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
OPRM1 P35372 2/20 0.50
ADRB1 P08588 2/20 0.50
CYP2D6 P10635 1/20 0.50
GALR3 O60755 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SLC2A1 P11166 1/20 0.47

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
SCHEMBL6814458 1.00 ADRB3 (0.75) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814809 0.92 ADRB3 (0.81) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814798 0.92 ADRB3 (0.81) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6813883 0.90 ADRB3 (0.74) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6813894 0.90 ADRB3 (0.74) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814480 0.89 ADRB3 (0.80) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814467 0.89 ADRB3 (0.80) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6813494 0.87 ADRB3 (0.82) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL3009506 0.87 ADRB3 (0.82) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6813492 0.87 ADRB3 (0.82) ADRB3ADRB2LMNAHIF1ASLC6A2

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
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed