SCHEMBL27775728

SCHEMBL27775728

CN1CCN(C2[CH]CCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MCOLN2 Q8IZK6 1/20 0.31
MCOLN1 Q9GZU1 1/20 0.31

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
SCHEMBL29264397 0.81
SCHEMBL736908 0.81 L3MBTL3 (0.32)
SCHEMBL735435 0.79 L3MBTL3 (0.31)
SCHEMBL737602 0.79 L3MBTL3 (0.31)
SCHEMBL739062 0.79 L3MBTL3 (0.31)
SCHEMBL9469528 0.77
SCHEMBL735235 0.75 CYP2D6 (0.33) TDP1
SCHEMBL206897 0.75 CYP2D6 (0.33) TDP1
SCHEMBL4159670 0.75 CYP2D6 (0.33) TDP1
SCHEMBL738007 0.74 L3MBTL1 (0.40)

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-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 CN disclosed