SCHEMBL26005486

SCHEMBL26005486

SC1Oc2cccc(C3CCNCC3)c2O1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.45
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 7/20 0.39
HTR1A P08908 6/20 0.39
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ADRB2 P07550 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL26005718 0.81 HTR2C (0.49) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL31159703 0.79 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL8548879 0.74 ADRB1 (0.50) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12081257 0.74 HTR2C (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL22009927 0.72 HTR6 (0.40) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL29556433 0.72 HTR6 (0.40) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL23980840 0.72 SLC18A3 (0.45) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL22009777 0.71 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL22697071 0.71 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL22009845 0.71 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023152698-A1 2-((4-((S)-2-(4-CHLORO-2-FLUOROPHENYL)-2-METHYLBENZO[D][1,3]DIOXOL-4-YL)PIPERIDIN-1-YL)METHYL)-1-(((S)-OXETAN-2-YL)METHYL)-1H-IMIDAZOLE DERIVATIVES AS ACTIVATORS OF THE GLP1 RECEPTOR FOR THE TREATMENT OF OBESITY NOVARTIS AG (CH) 2023-08-17 WO disclosed