SCHEMBL1649897

SCHEMBL1649897

CC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCNC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
GHSR Q92847 1/20 0.32
GAA P10253 2/20 0.31
CTSL P07711 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
SCHEMBL3197007 0.88 KMT2A (0.34) KMT2AKDM4EMEN1MAPK1GHSR
SCHEMBL23120791 0.88 KMT2A (0.38) KMT2AKDM4EMEN1MAPK1GHSR
SCHEMBL3197011 0.88 KMT2A (0.34) KMT2AKDM4EMEN1MAPK1GHSR
SCHEMBL2340622 0.88 KMT2A (0.38) KMT2AKDM4EMEN1MAPK1GHSR
SCHEMBL15645461 0.86 KMT2A (0.47) KMT2AKDM4EMEN1MAPK1GHSR
SCHEMBL21624845 0.86 KMT2A (0.33) KMT2AKDM4EMEN1MAPK1GHSR
SCHEMBL23120812 0.86 KMT2A (0.33) KMT2AKDM4EMEN1MAPK1GHSR
SCHEMBL15760564 0.81 OPRM1 (0.37) KMT2AKDM4EMEN1MAPK1GHSR
SCHEMBL144836 0.81 MEN1 (0.39) KMT2AMEN1MAPK1GHSRGAA
SCHEMBL391041 0.81 KMT2A (0.43) KMT2AKDM4EMEN1MAPK1GHSR

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-2011049520-A1 ADAMANTYL IMINOCARBONYL-SUBSTITUTED PYRIMIDINES AS INHIBITORS OF 1 1 BETAHSD1 ASTRAZENECA AB (SE) 2011-04-28 WO disclosed