SCHEMBL29155288

SCHEMBL29155288

NCC1(c2cc(F)cc(F)c2)CCCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 16/20 0.67
SLC6A4 P31645 14/20 0.67
DPP4 P27487 1/20 0.53
SLC6A2 P23975 4/20 0.49

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
SCHEMBL29155232 0.96 SLC6A3 (0.62) SLC6A3SLC6A4DPP4SLC6A2
SCHEMBL7196726 0.81 SLC6A3 (0.64) SLC6A3SLC6A4DPP4SLC6A2
Hydrochloric Acid SCHEMBL29428955 0.81 SLC6A3 (0.47) SLC6A3SLC6A4DPP4
SCHEMBL3517265 0.81 SLC6A3 (1.00) SLC6A3SLC6A4DPP4SLC6A2
SCHEMBL3517422 0.80 SLC6A3 (0.67) SLC6A3SLC6A4DPP4SLC6A2
Water SCHEMBL7265593 0.80 SLC6A3 (0.62) SLC6A3SLC6A4DPP4SLC6A2
SCHEMBL5495766 0.79 SLC6A3 (0.96) SLC6A3SLC6A4DPP4SLC6A2
SCHEMBL19950158 0.79 SLC6A3 (0.45) SLC6A3SLC6A4DPP4SLC6A2
SCHEMBL31441138 0.78 SLC6A3 (1.00) SLC6A3SLC6A4DPP4SLC6A2
SCHEMBL3518807 0.78 SLC6A3 (1.00) SLC6A3SLC6A4DPP4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343313-A Polyether polyol and preparation method and application thereof 万华化学(宁波)容威聚氨酯有限公司 2024-01-05 CN claimed
CN-117343313-A Polyether polyol and preparation method and application thereof 万华化学(宁波)容威聚氨酯有限公司 2024-01-05 CN disclosed