SCHEMBL6812666

SCHEMBL6812666

O=CNc1cc(CCBr)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.50
ADRB2 P07550 10/20 0.42
ADRB1 P08588 3/20 0.41
ADRB3 P13945 2/20 0.41
ADRA1A P35348 3/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CDK1 P06493 1/20 0.40
DRD2 P14416 2/20 0.39
PGR P06401 1/20 0.39
SLC6A4 P31645 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7259369 0.83 ADRA2A (0.55) KDM5AADRB2ADRB1ADRB3ADRA1A
SCHEMBL11247792 0.81 KDM5A (0.55) KDM5AADRB2ADRB1ADRB3ADRA1A
SCHEMBL6475595 0.81 KDM5A (0.47) KDM5AADRB2ADRB1ADRB3ADRA1A
SCHEMBL13074401 0.79 KDM5A (0.53) KDM5AADRB2ADRB1ADRB3ADRA1A
SCHEMBL10409066 0.79 DRD2 (0.61) KDM5AADRA1ADRD2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11670336 0.78 ADRB2 (0.55) KDM5AADRB2ADRB1ADRB3ADRA1A
SCHEMBL10925191 0.77 KDM5A (0.44) KDM5AADRB2ADRB1ADRB3ADRA1A
SCHEMBL11170458 0.77 KDM5A (0.58) KDM5AADRB2ADRB1ADRB3ADRA1A
SCHEMBL10925188 0.76 HRH3 (0.46) KDM5ASLC6A3
SCHEMBL31270962 0.75 KDM5A (0.49) KDM5AADRB2ADRB1ADRB3ADRA1A

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