SCHEMBL6872015

SCHEMBL6872015

Cc1noc(-c2ccccc2)c1NC(=O)NC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
MCHR1 Q99705 2/20 0.39
ACACB O00763 3/20 0.39
AR P10275 1/20 0.38
NPY5R Q15761 3/20 0.37
ADRA2A P08913 1/20 0.37
HIF1A Q16665 2/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
VCP P55072 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6457298 0.89 KDM4E (0.44) KDM4EMAPTMCHR1NPY5RADRA2A
SCHEMBL6457315 0.89 KDM4E (0.44) KDM4EMAPTMCHR1NPY5RADRA2A
SCHEMBL6875428 0.86 MCHR1 (0.43) KDM4EMCHR1ACACBNPY5RADRA2A
SCHEMBL6875436 0.86 MCHR1 (0.43) KDM4EMCHR1ACACBNPY5RADRA2A
SCHEMBL6464046 0.85 MCHR1 (0.42) KDM4EMAPTMCHR1NPY5RADRA2A
SCHEMBL6464055 0.85 MCHR1 (0.42) KDM4EMAPTMCHR1NPY5RADRA2A
SCHEMBL4034542 0.85 MCHR1 (0.51) KDM4EMAPTMCHR1NPY5RADRA2A
SCHEMBL4034537 0.85 MCHR1 (0.51) KDM4EMAPTMCHR1NPY5RADRA2A
SCHEMBL6463399 0.84 MCHR1 (0.44) KDM4EMCHR1ACACBNPY5RADRA2A
SCHEMBL6463392 0.84 MCHR1 (0.44) KDM4EMCHR1ACACBNPY5RADRA2A

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