SCHEMBL31106145

SCHEMBL31106145

Nc1cccc(C2COC2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ASIC3 Q9UHC3 1/20 0.39
NOS3 P29474 3/20 0.39
NOS2 P35228 2/20 0.39
MCHR1 Q99705 1/20 0.33
IDH1 O75874 1/20 0.33
NOS1 P29475 3/20 0.33
CHRNA7 P36544 1/20 0.32
GRM4 Q14833 1/20 0.32
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL20689024 0.83 HTR1A (0.41) HTR1ADRD2DRD4ASIC3MCHR1
SCHEMBL20689022 0.83 HTR1A (0.41) HTR1ADRD2DRD4ASIC3MCHR1
SCHEMBL20688105 0.83 HTR1A (0.41) HTR1ADRD2DRD4ASIC3MCHR1
SCHEMBL3925163 0.81 ASIC3 (0.43) HTR1ADRD2DRD4ASIC3NOS3
SCHEMBL29900984 0.81 ASIC3 (0.43) HTR1ADRD2DRD4ASIC3NOS3
SCHEMBL10008729 0.81 HTR1A (0.53) HTR1ADRD2DRD4ASIC3NOS3
SCHEMBL15091015 0.78 HTR1A (0.41) HTR1ADRD2DRD4ASIC3NOS3
SCHEMBL21988030 0.76 HTR1A (0.46) HTR1ADRD2DRD4ASIC3NOS3
SCHEMBL31543163 0.76 KDM1A (0.30) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30279700 0.76 HTR1A (0.46) HTR1ADRD2DRD4ASIC3NOS3

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-2024184520-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 WO disclosed