SCHEMBL6867713

SCHEMBL6867713

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNC(=O)c3c(Cl)cccc3Cl)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.53
ADRA2A P08913 4/20 0.45
HTR2B P41595 4/20 0.45
ADRA1A P35348 3/20 0.45
HRH1 P35367 3/20 0.45
HTR1A P08908 1/20 0.43
P2RX7 Q99572 3/20 0.42
MAPK14 Q16539 2/20 0.40
NPY5R Q15761 1/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
CHRM1 P11229 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39

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
SCHEMBL6867719 1.00 MCHR1 (0.53) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6880767 0.94 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6880763 0.94 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6461874 0.91 MCHR1 (0.59) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6461873 0.91 MCHR1 (0.59) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875462 0.90 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875455 0.90 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6876588 0.89 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6876594 0.89 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6873779 0.88 MCHR1 (0.55) MCHR1ADRA2AHTR2BADRA1AHRH1

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