SCHEMBL6868596

SCHEMBL6868596

CC(NC(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 6/20 0.45
MCHR1 Q99705 10/20 0.44
ADRA2A P08913 8/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
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

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
SCHEMBL6868601 1.00 EPHX1 (0.53) EPHX1LMNAMAPK1MCHR1ADRA2A
SCHEMBL6869011 0.94 EPHX1 (0.46) EPHX1LMNAMAPK1MCHR1ADRA2A
SCHEMBL6869014 0.94 EPHX1 (0.46) EPHX1LMNAMAPK1MCHR1ADRA2A
SCHEMBL6456053 0.91 MCHR1 (0.44) EPHX1LMNAMCHR1ADRA2AKDM4E
SCHEMBL6456045 0.91 MCHR1 (0.44) EPHX1LMNAMCHR1ADRA2AKDM4E
SCHEMBL6866842 0.89 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6457316 0.89 MCHR1 (0.42) EPHX1MCHR1ADRA2AHTR1AADRA1A
SCHEMBL6866843 0.89 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6462062 0.89 MCHR1 (0.42) EPHX1MCHR1ADRA2AHTR1AADRA1A
SCHEMBL6867270 0.88 ALPL (0.52) EPHX1LMNAMAPK1MCHR1ADRA2A

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