SCHEMBL21886870

SCHEMBL21886870

FC(F)(F)C1NC(c2ccc(OC3CCNC3)cc2)=NO1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PRKCZ Q05513 4/20 0.40
ROCK1 Q13464 2/20 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
SCHEMBL21339770 0.73 KIF11 (0.36)
SCHEMBL23505936 0.72
SCHEMBL25153724 0.71 KIF11 (0.33)
SCHEMBL2300079 0.70 CHRNB2 (0.49) CHRNB2CHRNA4PRKCZROCK1
SCHEMBL23505860 0.70 KIF11 (0.36)
SCHEMBL3071569 0.70 SLC6A2 (0.50) CHRNB2CHRNA4PRKCZROCK1
SCHEMBL23791472 0.70 SLC6A2 (0.50) CHRNB2CHRNA4PRKCZROCK1
SCHEMBL23505929 0.70
SCHEMBL23632246 0.70 SLC6A2 (0.50) CHRNB2CHRNA4PRKCZROCK1
SCHEMBL21824914 0.69 HDAC4 (0.57)

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-2020070610-A1 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2020-04-09 WO disclosed