SCHEMBL6880286

SCHEMBL6880286

CN(C)c1nc(NC2CCC(NC(=O)NC3C[C@H]3c3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
MCHR1 Q99705 12/20 0.43
ADRA2A P08913 11/20 0.43
KDM1A O60341 4/20 0.43
MAOB P27338 2/20 0.43
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
MAPK1 P28482 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
SCHEMBL6880278 1.00 EPHX2 (0.46) EPHX2MCHR1ADRA2AKDM1AMAOB
SCHEMBL6880279 1.00 EPHX2 (0.46) EPHX2MCHR1ADRA2AKDM1AMAOB
SCHEMBL6459844 0.86 HPGD (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6459853 0.86 HPGD (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6464793 0.86 HPGD (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4030119 0.84 MCHR1 (0.61) EPHX2MCHR1ADRA2AKDM1AMAOB
SCHEMBL4030127 0.84 MCHR1 (0.61) EPHX2MCHR1ADRA2AKDM1AMAOB
SCHEMBL4030122 0.84 MCHR1 (0.61) EPHX2MCHR1ADRA2AKDM1AMAOB
SCHEMBL6875039 0.83 EPHX1 (0.51) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6875033 0.83 EPHX1 (0.51) MCHR1ADRA2AHTR1AADRA1AHRH1

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