SCHEMBL708672

SCHEMBL708672

O=C(O)CN(CCCc1ccccc1)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.58
SLC6A3 Q01959 2/20 0.58
CHRM2 P08172 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD1 P21728 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
KCNH2 Q12809 1/20 0.58
HDAC1 Q13547 2/20 0.57
HDAC3 O15379 1/20 0.57
MAPK1 P28482 1/20 0.57
HDAC4 P56524 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57

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
SCHEMBL2444789 0.94 MAPT (0.56) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL2443821 0.88 KEAP1 (0.54) ADRA1ASLC6A3CHRM2ADRA2ADRD1
SCHEMBL2476877 0.87 ADRA1A (0.50) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL10817335 0.81 KCNH2 (0.75) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL11276352 0.80 OPRM1 (0.61) ADRA1ASLC6A3CHRM2HTR1AADRA2A
Alverine SCHEMBL5059354 0.79 KCNH2 (0.85) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL27541878 0.79 OPRK1 (0.56) ADRA1ASLC6A3OPRM1HDAC1HDAC3
SCHEMBL2284795 0.78 TDP1 (0.56) ADRA1ASLC6A3CHRM2ADRA2ADRD1
Edetic Acid SCHEMBL1287423 0.78 TSHR (0.56) ADRA1ASLC6A3CHRM2ADRA2ADRD1
SCHEMBL2807141 0.78 TDP1 (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910426-B1 DIENE POLYMERISATION INEOS SALES (UK) LTD (GB) 2018-01-03 EP disclosed
US-8124698-B2 Diene polymerisation INEOS EUROPE LIMITED (GB) 2012-02-28 US 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
US-20100022724-A1 Diene Polymerisation INEOS SALES (UK) LIMITED (GB) 2010-01-28 US disclosed