SCHEMBL21790197

SCHEMBL21790197

CN(C(=O)C1CC1)[C@H]1CCN(C=O)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.41
PYGL P06737 2/20 0.39
VNN1 O95497 7/20 0.39
DPP4 P27487 1/20 0.37
KCNH2 Q12809 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.34
CHRM4 P08173 1/20 0.32
USP30 Q70CQ3 3/20 0.32

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
SCHEMBL1712741 0.83 PYGL (0.40) PYGLVNN1DPP4DPP8USP30
SCHEMBL1307160 0.83 PYGL (0.40) PYGLVNN1DPP4DPP8USP30
SCHEMBL13939912 0.77 CCR5 (0.44) CCR5VNN1DPP4KCNH2DPP8
SCHEMBL1309093 0.76 L3MBTL3 (0.35) PYGL
SCHEMBL404146 0.76 L3MBTL3 (0.35) PYGL
SCHEMBL13955505 0.76 L3MBTL3 (0.35) PYGL
SCHEMBL21772872 0.75 VNN1 (0.47) CCR5VNN1DPP4KCNH2DPP8
SCHEMBL1712685 0.74 BCHE (0.41) DPP4
SCHEMBL21201804 0.73 PYGL (0.33) PYGL
SCHEMBL21201850 0.73 ADH1C (0.47) PYGL

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-2020043658-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 WO disclosed