SCHEMBL7048333

SCHEMBL7048333

Cc1ccccc1N(C)c1ccnc(NC2CCC(CNC(=O)OCc3ccccc3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
TNK2 Q07912 3/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 6/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
DRD2 P14416 1/20 0.39
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38

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
SCHEMBL7048334 1.00 GRIN2B (0.40) GRIN2BTNK2MAPK8MAPK9L3MBTL1
SCHEMBL6459707 0.89 GRIN2B (0.43) GRIN2BTNK2MAPK8MAPK9MCHR1
SCHEMBL6459705 0.89 GRIN2B (0.43) GRIN2BTNK2MAPK8MAPK9MCHR1
SCHEMBL6463839 0.81 MCHR1 (0.60) TNK2L3MBTL1MCHR1ADRA2AADRA1A
SCHEMBL6463836 0.81 MCHR1 (0.60) TNK2L3MBTL1MCHR1ADRA2AADRA1A
SCHEMBL6456570 0.80 MCHR1 (0.60) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6456564 0.80 MCHR1 (0.60) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6867773 0.78 ALDH1A1 (0.54) MAPK8MAPK9
SCHEMBL6880526 0.78 MCHR1 (0.40) GRIN2BL3MBTL1MCHR1ADRA2AADRA1A
SCHEMBL6873725 0.77 MCHR1 (0.52) MCHR1ADRA2AADRA1AHRH1HTR2B

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