SCHEMBL6868464

SCHEMBL6868464

CN(C)c1ccnc(NC2CCC(CNCc3ccc(N(C)C)c4ccccc34)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.44
NPY5R Q15761 4/20 0.44
ADRA2A P08913 3/20 0.44
DRD2 P14416 2/20 0.37
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 3/20 0.36
NPY1R P25929 1/20 0.35
JAK3 P52333 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD3 P35462 1/20 0.34
LCK P06239 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL6463054 1.00 MCHR1 (0.44) MCHR1NPY5RADRA2ADRD2MAPK8
SCHEMBL6876612 0.88 MCHR1 (0.46) MCHR1NPY5RADRA2ADRD2MAPK8
SCHEMBL6455824 0.88 MCHR1 (0.46) MCHR1NPY5RADRA2ADRD2MAPK8
SCHEMBL6874708 0.85 MCHR1 (0.42) MCHR1NPY5RADRA2ADRD2MAPK8
SCHEMBL6873498 0.85 MCHR1 (0.42) MCHR1NPY5RADRA2ADRD2MAPK8
SCHEMBL6874714 0.85 MCHR1 (0.42) MCHR1NPY5RADRA2ADRD2MAPK8
SCHEMBL6873958 0.84 HTR1A (0.47) MCHR1NPY5RADRA2ADRD2MAPK8
SCHEMBL6877984 0.84 MAPK8 (0.49) MCHR1NPY5RADRA2AMAPK8MAPK9
SCHEMBL6873963 0.84 HTR1A (0.47) MCHR1NPY5RADRA2ADRD2MAPK8
SCHEMBL6877981 0.84 MAPK8 (0.49) MCHR1NPY5RADRA2AMAPK8MAPK9

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