SCHEMBL6441063

SCHEMBL6441063

CC(C)(C)OC(=O)CN1CCC(=O)[N]c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G5 P39877 1/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCKBR P32239 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL6444435 0.76 DDB1 (0.49) SCN9ASCN10AALDH1A1KDM4EKMT2A
SCHEMBL5030092 0.75 MEN1 (0.45) SCN9ASCN10AALDH1A1KDM4EKMT2A
SCHEMBL5025458 0.72 MEN1 (0.43) SCN9ASCN10AKMT2AMEN1PLA2G10
SCHEMBL29677014 0.71 MAPK1 (0.46) PLA2G10PLA2G5
SCHEMBL6282329 0.67 PLA2G10 (0.47) SCN9ASCN10AALDH1A1KDM4EKMT2A
SCHEMBL3588482 0.67 SCN9A (0.53) SCN9ASCN10AALDH1A1KDM4EKMT2A
SCHEMBL6283002 0.67 CYP2D6 (0.65) SCN9ASCN10AALDH1A1KDM4EKMT2A
SCHEMBL6361822 0.66 PLA2G10 (0.41) SCN9ASCN10AALDH1A1KDM4EKMT2A
SCHEMBL1364804 0.66 TSHR (0.54) ALDH1A1KDM4EKMT2AMEN1PLA2G10
SCHEMBL24495626 0.65 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed