SCHEMBL6880767

SCHEMBL6880767

CN(C)c1ccnc(NC2CCC(CNC(=O)c3c(F)cccc3Cl)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.51
ADRA2A P08913 2/20 0.48
ADRA1A P35348 2/20 0.48
HTR2B P41595 2/20 0.48
HRH1 P35367 1/20 0.48
HTR1A P08908 1/20 0.42
P2RX7 Q99572 6/20 0.42
MAPK14 Q16539 3/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 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
SCHEMBL6880763 1.00 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873783 0.94 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873779 0.94 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6867713 0.94 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6867719 0.94 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876866 0.89 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876860 0.89 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876588 0.88 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876594 0.88 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875176 0.88 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1

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