SCHEMBL30309249

SCHEMBL30309249

NCCCC(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
HTR2A P28223 1/20 0.52
TAAR1 Q96RJ0 1/20 0.43
SLC7A5 Q01650 7/20 0.43
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNK2 O95069 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
MAOA P21397 1/20 0.39
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL4453544 0.79 LTA4H (0.47) HRH1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL25203010 0.79 KCNA3 (0.38) SLC6A4LTA4H
SCHEMBL8702065 0.78 SLC7A5 (0.43) SLC7A5MAOALTA4H
SCHEMBL7305170 0.78 TAAR1 (0.44) HTR2ATAAR1SLC6A4LTA4HPLA2G2A
Bromide SCHEMBL30436833 0.78 KCNA3 (0.37) SLC6A4LTA4H
SCHEMBL4445054 0.78 LTA4H (0.47) HRH1HTR2ASLC7A5SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28452585 0.78 KCNA3 (0.37) SLC6A4LTA4H
SCHEMBL25195163 0.78 KCNA3 (0.37) SLC7A5SLC6A4LTA4H
SCHEMBL5280440 0.77 SLC7A5 (0.48) HRH1HTR2ATAAR1SLC7A5SLC6A2
Bromide SCHEMBL25222065 0.76 KCNA3 (0.35) SLC7A5SLC6A4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801254-B Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2023-04-07 CN disclosed