SCHEMBL31528293

SCHEMBL31528293

O=Cc1ccccc1CCN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 4/20 0.49
KCNH2 Q12809 2/20 0.46
HTR2A P28223 4/20 0.43
LTA4H P09960 1/20 0.42
SLC6A2 P23975 3/20 0.42
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
DRD3 P35462 2/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL6223730 0.85 POLB (0.47) SIGMAR1DRD1DRD4DRD5
SCHEMBL23926362 0.84 HRH3 (0.55) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL23094139 0.83 HRH3 (0.57) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL5909670 0.82 ALDH1A1 (0.53) HRH3
SCHEMBL22322105 0.81 ALDH1A1 (0.56) HRH3
SCHEMBL13038416 0.79 HRH3 (0.46) HRH3SLC6A3SIGMAR1KCNH2LTA4H
SCHEMBL1892119 0.73 MEN1 (0.63) LTA4HDRD3DRD1DRD4DRD5
SCHEMBL4932037 0.73 SIGMAR1 (0.67) HRH3SLC6A3SIGMAR1KCNH2HTR2A
SCHEMBL9254022 0.73 HRH3 (0.62) HRH3SLC6A3SIGMAR1KCNH2
SCHEMBL6377779 0.73 HRH3 (0.62) HRH3SLC6A3SIGMAR1KCNH2HTR2A

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
CN-113454086-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-03-14 CN disclosed