SCHEMBL19854896

SCHEMBL19854896

CC(C)(C)OC(=O)NCNC1CCC2(CC1)CN([C@@H](CCC(N)=O)C(N)=O)C2=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL19853738 0.88 CTSK (0.36)
SCHEMBL21034802 0.88 CTSK (0.36)
SCHEMBL19854895 0.86 EP300 (0.33)
SCHEMBL24634129 0.81 EP300 (0.36)
SCHEMBL19853723 0.77 JAK2 (0.37) EPHX1
SCHEMBL19854892 0.76 JAK2 (0.36) GRIN2BGRIN2CEPHX1
SCHEMBL21034294 0.76 EP300 (0.37) LMNA
SCHEMBL19839392 0.76 EP300 (0.37) LMNA
SCHEMBL19853784 0.74 EP300 (0.33) LMNA
SCHEMBL19854870 0.72

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-2018026763-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO disclosed