SCHEMBL6878280

SCHEMBL6878280

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3csc4ccccc34)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.46
MAPK14 Q16539 1/20 0.45
ADRA2A P08913 8/20 0.44
HRH1 P35367 4/20 0.42
HTR2B P41595 4/20 0.42
ADRA1A P35348 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HTR1A P08908 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6878290 1.00 MCHR1 (0.46) MCHR1MAPK14ADRA2AHRH1HTR2B
SCHEMBL6875309 0.88 MCHR1 (0.47) MCHR1MAPK14ADRA2AHRH1HTR2B
SCHEMBL6875303 0.88 MCHR1 (0.47) MCHR1MAPK14ADRA2AHRH1HTR2B
SCHEMBL6877476 0.84 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877485 0.84 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867804 0.82 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867807 0.82 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13793783 0.81 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878847 0.80 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878850 0.80 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A

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