SCHEMBL25354698

SCHEMBL25354698

Brc1ccc(C2CCC(C3CC3)O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.54
SLC6A3 Q01959 6/20 0.54
SLC6A2 P23975 5/20 0.54
PTAFR P25105 2/20 0.36
KDM1A O60341 6/20 0.35
MAOB P27338 3/20 0.35
KCNH2 Q12809 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
KDM1B Q8NB78 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
DRD1 P21728 1/20 0.33
MAOA P21397 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
SCHEMBL25356284 0.74 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2PTAFRKDM1A
SCHEMBL2693482 0.72 SLC6A2 (0.72) SLC6A4SLC6A3SLC6A2PTAFRKDM1A
SCHEMBL2689197 0.70 SLC6A2 (1.00) SLC6A4SLC6A3SLC6A2DRD1
SCHEMBL28898650 0.70 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2PTAFRKDM1A
SCHEMBL25356229 0.70 SLC6A2 (0.51) SLC6A4SLC6A3SLC6A2PTAFRKDM1A
SCHEMBL25354888 0.70 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2PTAFRKDM1A
SCHEMBL25354352 0.70 SLC6A2 (0.70) SLC6A4SLC6A3SLC6A2PTAFRKDM1A
SCHEMBL16546365 0.69 SLC6A2 (0.42) SLC6A4SLC6A3SLC6A2KDM1AMAOB
SCHEMBL16546452 0.69 SLC6A2 (0.42) SLC6A4SLC6A3SLC6A2KDM1AMAOB
SCHEMBL17548454 0.69 SLC6A2 (0.48) SLC6A4SLC6A3SLC6A2KDM1AMAOB

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