SCHEMBL30107902

SCHEMBL30107902

CC(C)(C)OC(=O)NC1(c2ccccc2Cl)CCCC(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
SLC6A4 P31645 2/20 0.42
OPRK1 P41145 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
LMNA P02545 1/20 0.42
OPRM1 P35372 1/20 0.42
GRIN2B Q13224 1/20 0.42
CACNA1C Q13936 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
HDAC4 P56524 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35

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
SCHEMBL30308920 1.00 GRIN1 (0.42) GRIN1GRIN2ASLC6A4OPRK1GRIN2D
SCHEMBL30308882 1.00 GRIN1 (0.42) GRIN1GRIN2ASLC6A4OPRK1GRIN2D
SCHEMBL16139853 1.00 GRIN1 (0.42) GRIN1GRIN2ASLC6A4OPRK1GRIN2D
SCHEMBL16139862 1.00 GRIN1 (0.42) GRIN1GRIN2ASLC6A4OPRK1GRIN2D
SCHEMBL30308935 1.00 GRIN1 (0.42) GRIN1GRIN2ASLC6A4OPRK1GRIN2D
SCHEMBL19403831 1.00 GRIN1 (0.42) GRIN1GRIN2ASLC6A4OPRK1GRIN2D
SCHEMBL30308923 1.00 GRIN1 (0.42) GRIN1GRIN2ASLC6A4OPRK1GRIN2D
SCHEMBL22005157 1.00 GRIN1 (0.42) GRIN1GRIN2ASLC6A4OPRK1GRIN2D
SCHEMBL20994020 1.00 GRIN1 (0.42) GRIN1GRIN2ASLC6A4OPRK1GRIN2D
SCHEMBL21451998 0.97 GRIN1 (0.44) GRIN1GRIN2ASLC6A4OPRK1GRIN2D

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
EP-4114821-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND PROCESS FOR PREPARING SAME Technische Hochschule Köln (DE) 2023-01-11 EP disclosed