SCHEMBL6876409

SCHEMBL6876409

CN(C)c1ccnc(N[C@H]2CC[C@@H](NCc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.37
ADRA2A P08913 2/20 0.37
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
BRD4 O60885 2/20 0.34
MAPK14 Q16539 1/20 0.34
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
TRPV3 Q8NET8 2/20 0.33
SCN9A Q15858 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
ACHE P22303 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL6876414 1.00 MCHR1 (0.37) MCHR1ADRA2AADRA1AHRH1BRD4
SCHEMBL6866575 0.91 MAPK14 (0.37) MCHR1ADRA2AMAPK14ACHE
SCHEMBL6866578 0.91 MAPK14 (0.37) MCHR1ADRA2AMAPK14ACHE
SCHEMBL13797305 0.79 MCHR1 (0.59) MCHR1ADRA2AADRA1AHRH1
SCHEMBL6869029 0.79 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1GABBR2
SCHEMBL6876340 0.75 MCHR1 (0.46) MCHR1ADRA2ASCN9A
SCHEMBL6876335 0.75 MCHR1 (0.46) MCHR1ADRA2ASCN9A
SCHEMBL6462492 0.73 MCHR1 (0.66) MCHR1ADRA2A
SCHEMBL6877676 0.72 MCHR1 (0.61) MCHR1ADRA2AADRA1AHRH1
SCHEMBL6877682 0.72 MCHR1 (0.61) MCHR1ADRA2AADRA1AHRH1

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