SCHEMBL30428624

SCHEMBL30428624

NCCc1ccc(OCCOCCC2CNCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A4 P31645 4/20 0.37
HTR2A P28223 3/20 0.37
SLC6A2 P23975 2/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA2C P18825 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MAOB P27338 3/20 0.35

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
SCHEMBL7349980 0.78 SLC6A4 (0.41) SLC6A4HTR2ASLC6A2ADRB2HTR1A
SCHEMBL2761385 0.77 SLC6A4 (0.43) SLC6A4HTR2ASLC6A2ADRB2HTR1A
SCHEMBL2892626 0.77 SLC6A2 (0.36) MEN1KMT2ASLC6A4HTR2ASLC6A2
SCHEMBL7216614 0.76 SLC6A4 (0.44) SLC6A4HTR2ASLC6A2ADRB2HTR1A
Hydrochloric Acid SCHEMBL6310841 0.76 SLC6A2 (0.46) MEN1KMT2ASLC6A4HTR2ASLC6A2
SCHEMBL5116224 0.75 SLC6A4 (0.43) SLC6A4HTR2ASLC6A2ADRB2HTR1A
SCHEMBL6008849 0.75 SLC6A2 (0.41) MEN1KMT2ASLC6A4HTR2ASLC6A2
SCHEMBL6978725 0.73 GFER (0.44) SLC6A4HTR2ASLC6A2ADRB2HTR1A
SCHEMBL6941071 0.72 SLC6A4 (0.46) SLC6A4HTR2ASLC6A2ADRB2HTR1A
SCHEMBL9385927 0.72 MEN1 (0.48) MEN1KMT2A

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-111051309-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-26 CN disclosed