SCHEMBL28529628

SCHEMBL28529628

O=C(c1ccccc1)c1ccc(CC2CNCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.41
SLC6A3 Q01959 6/20 0.41
SLC6A4 P31645 4/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
ADRA2C P18825 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL27801504 0.87 GRIK1 (0.42) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL27977910 0.86 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL682819 0.84 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL1552999 0.84 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL659743 0.84 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL27774035 0.83 ADRA2C (0.40) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
Hydrochloric Acid SCHEMBL4772964 0.82 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
Methane SCHEMBL27798790 0.82 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL27600200 0.82 CA2 (0.40) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
Trifluoroacetic Acid SCHEMBL2267360 0.81 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4ADRB2HTR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110198756-B Lubricious insertion tool for medical devices and methods of using same 舒尔默迪克斯公司 2022-07-12 CN disclosed
CN-110167626-B Low friction seal 苏尔莫迪克斯公司 2021-12-21 CN disclosed
CN-108348728-B Hemodialysis catheter sleeve 苏尔莫迪克斯公司 2021-07-09 CN disclosed
CN-107666872-B Insertable medical device system with plaque treatment portion and method of use thereof 舒尔默迪克斯公司 2021-05-18 CN disclosed
CN-106794283-B Article coating comprising oligomeric polyphenol layer and methods of biological use thereof 舒尔默迪克斯公司 2021-03-02 CN disclosed
CN-108697825-B Lubricious coatings having surface salt groups 苏尔莫迪克斯公司 2021-02-12 CN disclosed