SCHEMBL3834832

SCHEMBL3834832

CN(C)C(=O)NC1CCC(CC2CCC(NC(=O)N(C)C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
DRD2 P14416 9/20 0.46
ABCB11 O95342 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL16276048 0.93 KMT2A (0.46) KMT2ADRD2ABCB11CHRM2HTR1A
SCHEMBL18380886 0.87 CA1 (0.45) KMT2ADRD2ADRA2A
SCHEMBL2051051 0.87
SCHEMBL20377850 0.87 CA1 (0.45) KMT2ADRD2ADRA2A
SCHEMBL18073604 0.86 DRD2 (0.45) DRD2ABCB11CHRM2HTR1AADRA2A
SCHEMBL15342462 0.85 DRD2 (0.44) DRD2ABCB11CHRM2HTR1AADRA2A
SCHEMBL23781326 0.83 DRD2 (0.43) DRD2ABCB11CHRM2HTR1AADRA2A
SCHEMBL16654377 0.83 DRD2 (0.49) DRD2ABCB11CHRM2HTR1AADRA2A
SCHEMBL24448946 0.83 DRD2 (0.46) DRD2ABCB11CHRM2HTR1AADRA2A
SCHEMBL24449571 0.83 DRD2 (0.46) DRD2ABCB11CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996641-B1 USE OF A SUBSTITUTED GUANIDINE COMPOUND AS A HARDENER FOR EPOXY RESINS ALZCHEM TROSTBERG GMBH (DE) 2009-10-14 EP claimed
US-9663609-B2 Use of N,N′-(dimethyl) urones and method for curing epoxy resin compositions ALZCHEM AG (DE) 2017-05-30 US disclosed
EP-2780388-B1 USE OF N,N'-(DIMETHYL) URONS AND METHOD FOR CURING EPOXY RESIN COMPOSITIONS ALZCHEM AG (DE) 2015-05-06 EP disclosed
WO-2013072356-A1 USE OF N,N'-(DIMETHYL) URONS AND METHOD FOR CURING EPOXY RESIN COMPOSITIONS ALZCHEM AG (DE) 2013-05-23 WO disclosed