SCHEMBL30174336

SCHEMBL30174336

CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)nn1-c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.49
HRH3 Q9Y5N1 6/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 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
SCHEMBL30174340 0.89 AGER (0.52) AGERHRH3ADORA3ADORA2AADORA2B
SCHEMBL30174334 0.89 AGER (0.52) AGERHRH3ADORA3ADORA2AADORA2B
SCHEMBL30174333 0.89 AGER (0.62) AGERHRH3ADORA3ADORA2AADORA2B
SCHEMBL30174342 0.87 AGER (0.52) AGERHRH3ADORA3ADORA2AADORA2B
SCHEMBL30174344 0.87 AGER (0.52) AGERHRH3ADORA3ADORA2AADORA2B
SCHEMBL30174345 0.86 AGER (0.49) AGERHRH3ADORA3ADORA2AADORA2B
SCHEMBL30174335 0.86 AGER (0.51) AGERHRH3ADORA3ADORA2AADORA2B
SCHEMBL30174338 0.86 AGER (0.57) AGERHRH3ADORA3DRD2DRD3
SCHEMBL30174339 0.85 AGER (0.68) AGERATP4AATP4B
SCHEMBL31286527 0.84 AGER (0.47) AGERHRH3ALDH1A1

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
CN-119350257-A Triazole compounds 广西医科大学 2025-01-24 CN disclosed
CN-115594642-B A Ji Ruige triazole derivative and application thereof in resisting breast cancer 广西医科大学 2024-12-27 CN disclosed
CN-115594642-A Az Ji Ruige triazole derivative and application thereof in resisting breast cancer 广西医科大学(CN) 2023-01-13 CN disclosed