SCHEMBL6876100

SCHEMBL6876100

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(I)cc3)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.47
MCHR1 Q99705 12/20 0.44
ADRA2A P08913 6/20 0.44
ADRA1A P35348 2/20 0.43
HRH1 P35367 2/20 0.43
HTR2B P41595 2/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.41
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
MAPK14 Q16539 1/20 0.41
NAPEPLD Q6IQ20 1/20 0.40

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
SCHEMBL6872721 0.92 HDAC3 (0.48) NPY5RMCHR1ADRA2AADRA1AHRH1
SCHEMBL6872722 0.92 HDAC3 (0.48) NPY5RMCHR1ADRA2AADRA1AHRH1
SCHEMBL6459835 0.91 NPY5R (0.46) NPY5RMCHR1ADRA2AADRA1AHRH1
SCHEMBL6459841 0.91 NPY5R (0.46) NPY5RMCHR1ADRA2AADRA1AHRH1
SCHEMBL6457739 0.91 MCHR1 (0.51) NPY5RMCHR1ADRA2AADRA1AHRH1
SCHEMBL6464829 0.91 NPY5R (0.58) NPY5RMCHR1ADRA2AADRA1AHRH1
SCHEMBL6459241 0.91 MCHR1 (0.53) NPY5RMCHR1ADRA2AADRA1AHRH1
SCHEMBL6459232 0.91 MCHR1 (0.53) NPY5RMCHR1ADRA2AADRA1AHRH1
SCHEMBL6464824 0.91 NPY5R (0.58) NPY5RMCHR1ADRA2AADRA1AHRH1
SCHEMBL6457744 0.91 MCHR1 (0.51) NPY5RMCHR1ADRA2AADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed