SCHEMBL6982209

SCHEMBL6982209

CNC1CCC(c2ccc3c(c2)[N]C(=O)N3)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
HRH3 Q9Y5N1 4/20 0.35
HRH4 Q9H3N8 3/20 0.34
KCNH2 Q12809 2/20 0.34
MAT2A P31153 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
NOTUM Q6P988 2/20 0.32
CDK7 P50613 3/20 0.30
CDK13 Q14004 3/20 0.30
CDK12 Q9NYV4 3/20 0.30
SLC6A4 P31645 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL6211091 0.86 EPHX2 (0.34) EPHX2HRH3PRMT5WDR77SLC6A4
SCHEMBL6215064 0.83 GRM4 (0.32) EPHX2CDK7CDK13CDK12
SCHEMBL6978487 0.80 ESR2 (0.44) EPHX2HRH3PRMT5WDR77NOTUM
SCHEMBL788535 0.80 QDPR (0.45) EPHX2
SCHEMBL6213577 0.79 CYP2C9 (0.43) HRH3SLC6A4
SCHEMBL3827824 0.79 EPHX2 (0.38) EPHX2PRMT5WDR77NOTUM
SCHEMBL6212043 0.78 EPHX2 (0.36) EPHX2PRMT5WDR77
SCHEMBL6217122 0.78 KDM1A (0.34) EPHX2
SCHEMBL2334055 0.74 EPHX2 (0.41) EPHX2MAT2APRMT5WDR77NOTUM
SCHEMBL4301270 0.74 SLC18A3 (0.48) EPHX2HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286975-A1 BICLYCLIC CYCLOHEXYLAMINES AND THEIR USE AS NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-03-05 EP disclosed
WO-2001092239-A1 BICICLIC CYCLOHEXYLAMINES AND THEIR USE AS NMDA RECEPTOR ANTOGONISTS WARNER-LAMBERT COMPANY (US) 2001-12-06 WO disclosed