SCHEMBL28027328

SCHEMBL28027328

[CH2]c1ccc(/C=C/[C@@H]2CCCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KHK P50053 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
SCHEMBL22852305 0.83 KHK (0.41) KHK
SCHEMBL23064604 0.82 KHK (0.48) KHK
SCHEMBL5530870 0.82 KHK (0.48) KHK
SCHEMBL23064603 0.82 KHK (0.48) KHK
Hydrochloric Acid SCHEMBL22831208 0.81 KHK (0.40) KHK
Hydrochloric Acid SCHEMBL22831212 0.81 KHK (0.40) KHK
Hydrochloric Acid SCHEMBL28467884 0.81 KHK (0.40) KHK
SCHEMBL28086832 0.78 KHK (0.38) KHK
SCHEMBL5152095 0.78 KHK (0.41) KHK
SCHEMBL5152098 0.78 KHK (0.41) KHK

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-102459165-B Antiviral compound ABBVIE (US) 2015-09-02 CN disclosed