SCHEMBL2476877

SCHEMBL2476877

COC(=O)CN(CCCc1ccccc1)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.45

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
SCHEMBL708672 0.87 ADRA1A (0.58) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL12198408 0.83 NPC1 (0.47) KDM4EMEN1LMNAKMT2AHDAC1
SCHEMBL2444789 0.82 MAPT (0.56) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL25538790 0.81 TDP1 (0.52) ADRA1ASLC6A3CHRM2ADRA2ADRD1
SCHEMBL3364898 0.77 NPC1 (0.52) KDM4EMEN1LMNAKMT2AHDAC1
SCHEMBL15062794 0.77 ALOX5 (0.56) HDAC1HDAC2HDAC8ALOX5
SCHEMBL2443821 0.77 KEAP1 (0.54) ADRA1ASLC6A3CHRM2ADRA2ADRD1
SCHEMBL5085940 0.77 TDP1 (0.64) ADRA1ASLC6A3CHRM2ADRA2ADRD1
SCHEMBL5852270 0.77 TDP1 (0.64) ADRA1ASLC6A3CHRM2ADRA2ADRD1
SCHEMBL13129733 0.77 TDP1 (0.64) ADRA1ASLC6A3CHRM2ADRA2ADRD1

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-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed
EP-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed
WO-2011107948-A2 LIGANDS OF INSULIN DEGRADING ENZYME AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2011-09-09 WO disclosed