SCHEMBL25354352

SCHEMBL25354352

Brc1ccc(C2CCC(CI)O2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.70
SLC6A4 P31645 6/20 0.70
SLC6A3 Q01959 6/20 0.70
CYP2A6 P11509 5/20 0.40
PTAFR P25105 2/20 0.38
CYP3A4 P08684 1/20 0.36
KDM1A O60341 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DRD1 P21728 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1B Q8NB78 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL2693482 0.84 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2A6PTAFR
SCHEMBL9372437 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2A6PTAFR
SCHEMBL2689197 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL7536965 0.81 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL2690541 0.79 SLC6A4 (0.76) SLC6A2SLC6A4SLC6A3CYP2A6PTAFR
SCHEMBL9161142 0.79 CYP2A6 (0.47) SLC6A2SLC6A4SLC6A3CYP2A6PTAFR
SCHEMBL5536034 0.78 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3CYP2A6PTAFR
SCHEMBL12903063 0.77 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2A6PTAFR
SCHEMBL2745656 0.72 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL25356284 0.72 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3PTAFRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed