SCHEMBL28474456

SCHEMBL28474456

O=C1CN(C(=O)O)C(Cc2ccccc2)CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.42
ABCB1 P08183 3/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
DPP4 P27487 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MC4R P32245 2/20 0.37
MC3R P41968 2/20 0.37
MC1R Q01726 2/20 0.37
HDAC8 Q9BY41 2/20 0.37

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
SCHEMBL2893795 0.79 ABCB1 (0.42) ABCB1CA1CA2CA4CA9
SCHEMBL590923 0.75 CA1 (0.62) CA1CA2CA4CA9SLC6A2
SCHEMBL28045116 0.75 CA1 (0.62) CA1CA2CA4CA9SLC6A2
SCHEMBL29060292 0.73 CA1 (0.46) ABCB1CA1CA2CA4CA9
SCHEMBL3576211 0.72 CA1 (0.54) CA1CA2CA4CA9SLC6A2
SCHEMBL2086686 0.72 CA1 (0.54) CA1CA2CA4CA9SLC6A2
SCHEMBL1570873 0.72 NR1H2 (0.49) ABCB1DPP4
SCHEMBL1570869 0.72 NR1H2 (0.49) ABCB1DPP4
SCHEMBL21010215 0.72 KDM4E (0.40) ABCB1SLC6A2SLC6A4SLC6A3PSEN1
SCHEMBL18862950 0.71 HSD11B1 (0.48) ABCB1MC4RMC3RMC1R

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-111918651-A GCN2 inhibitors and uses thereof 默克专利股份有限公司 2020-11-10 CN disclosed