SCHEMBL28397482

SCHEMBL28397482

COc1ncc(N2CC3CN(c4nccc(CO[Si](C)(C)C(C)(C)C)c4F)CC3C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 18/20 0.49
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 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
SCHEMBL29198437 0.87 AOC3 (0.49) AOC3
SCHEMBL29198412 0.82 AOC3 (0.42) AOC3DPP4DPP8DPP9DPP7
SCHEMBL28400326 0.81 AOC3 (0.40) AOC3
SCHEMBL28890088 0.80 AOC3 (0.49) AOC3
SCHEMBL15000496 0.75 AOC3 (0.59) AOC3DPP4DPP8DPP9DPP7
SCHEMBL30889387 0.72 AOC3 (0.36) AOC3
SCHEMBL30889373 0.72 AOC3 (0.35) AOC3
SCHEMBL28398307 0.71 AOC3 (0.38) AOC3
SCHEMBL28405921 0.69 AOC3 (0.40) AOC3DPP4DPP7
SCHEMBL28396828 0.68 AOC3 (0.35) AOC3

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-111196806-B Guanidine derivative and application thereof 广东东阳光药业股份有限公司 2024-04-26 CN disclosed
CN-111196806-A Guanidine derivatives and use thereof 广东东阳光药业有限公司 2020-05-26 CN disclosed