SCHEMBL30174335

SCHEMBL30174335

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGER Q15109 8/20 0.51
ATP4A P20648 2/20 0.48
ATP4B P51164 2/20 0.48
ADORA3 P0DMS8 4/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
HRH3 Q9Y5N1 4/20 0.41
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GALR3 O60755 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
SCHEMBL30174345 0.91 AGER (0.49) AGERATP4AATP4BADORA3ADORA2A
SCHEMBL30174340 0.89 AGER (0.52) AGERATP4AATP4BADORA3ADORA2A
SCHEMBL30174334 0.89 AGER (0.52) AGERATP4AATP4BADORA3ADORA2A
SCHEMBL30174333 0.88 AGER (0.62) AGERATP4AATP4BADORA3ADORA2A
SCHEMBL30174344 0.87 AGER (0.52) AGERADORA3ADORA2AADORA2BADORA1
SCHEMBL30174342 0.87 AGER (0.52) AGERADORA3ADORA2AADORA2BADORA1
SCHEMBL30174336 0.86 AGER (0.49) AGERATP4AATP4BADORA3ADORA2A
SCHEMBL30174338 0.85 AGER (0.57) AGERATP4AATP4BADORA3HRH3
SCHEMBL30174339 0.84 AGER (0.68) AGERATP4AATP4B
SCHEMBL31286527 0.83 AGER (0.47) AGERHRH3

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