SCHEMBL25329248

SCHEMBL25329248

Fc1cc(Br)cc(F)c1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A3 Q01959 7/20 0.42
HTR1A P08908 6/20 0.42
DPP4 P27487 1/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HTR2C P28335 5/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
PLG P00747 2/20 0.35
QDPR P09417 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 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
SCHEMBL17514687 0.85 KDM1A (0.35)
SCHEMBL30232420 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR1ASLC18A3
SCHEMBL17514785 0.81 ABCB1 (0.37) DPP4MAPT
SCHEMBL17918746 0.80 HTR2C (0.46) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL25330066 0.80 USP7 (0.46) SLC6A2SLC6A4SLC6A3HTR1ASLC18A3
SCHEMBL31222976 0.76 KDM1A (0.50) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL19069574 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL17916114 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL1765128 0.75 HTR1A (0.67) SLC6A2SLC6A4SLC6A3HTR1ASLC18A3
Hydrochloric Acid SCHEMBL6075201 0.73 HTR1A (0.65) SLC6A2SLC6A4SLC6A3HTR1ASLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466260-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2024-11-27 EP disclosed
CN-118574821-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2024-08-30 CN disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed