SCHEMBL29699041

SCHEMBL29699041

O=S(=O)(c1ccccc1)n1cccc1C1CNCCO1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.42
DRD3 P35462 3/20 0.42
DRD2 P14416 6/20 0.41
HTR2A P28223 4/20 0.41
HTR1A P08908 3/20 0.41
HTR7 P34969 3/20 0.41
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL322881 0.72 DRD2 (0.48) DRD3DRD2
SCHEMBL322882 0.70 HTR6 (0.43) HTR6DRD3DRD2HTR2AHTR1A
SCHEMBL1626963 0.68 DRD2 (0.65) DRD3DRD2HTR2AHTR1A
SCHEMBL4536932 0.68 DRD2 (0.65) DRD3DRD2HTR2AHTR1A
SCHEMBL8538844 0.68 DRD2 (0.65) DRD3DRD2HTR2AHTR1A
SCHEMBL357358 0.68 DRD2 (0.65) DRD3DRD2HTR2AHTR1A
SCHEMBL6422590 0.68 SLC6A2 (0.38) HTR6DRD3DRD2HTR2AHTR1A
SCHEMBL28845061 0.67 DRD2 (0.63) DRD3DRD2HTR2AHTR1A
SCHEMBL28148490 0.67 DRD2 (0.63) DRD3DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL1711121 0.67 DRD2 (0.63) DRD3DRD2HTR2AHTR1A

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-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 WO disclosed