SCHEMBL30100968

SCHEMBL30100968

[2H]C1(c2ccc(Cl)s2)CNCCO1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.33
SLC6A4 P31645 8/20 0.33
SLC6A3 Q01959 4/20 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
SCHEMBL30100971 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL30100977 0.75 DRD2 (0.31)
SCHEMBL30101002 0.74 DRD2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL30100949 0.73 DRD2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL30101005 0.69 KIF11 (0.31)
SCHEMBL30374077 0.67 SLC6A3 (0.44) SLC6A3
SCHEMBL31116712 0.62 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL31116801 0.62 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL31116723 0.62 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL31284382 0.61 DRD2 (0.45)

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-115433205-A Polycyclic derivative receptor agonist, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-12-06 CN disclosed