SCHEMBL6878765

SCHEMBL6878765

CN(C)c1cc(NC2CCC(N(C(=O)O)c3cccc(C(F)(F)F)c3)CC2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.50
ADRA2A P08913 7/20 0.50
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SYK P43405 1/20 0.37
ACP1 P24666 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
NPY5R Q15761 1/20 0.37
PHGDH O43175 1/20 0.37
MALT1 Q9UDY8 1/20 0.37

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
SCHEMBL6878756 1.00 MCHR1 (0.50) MCHR1ADRA2AMAPTLMNAPOLB
SCHEMBL6872629 0.86 MCHR1 (0.47) MCHR1ADRA2AMAPTLMNAPOLB
SCHEMBL6872636 0.86 MCHR1 (0.47) MCHR1ADRA2AMAPTLMNAPOLB
SCHEMBL6876704 0.85 MCHR1 (0.43) MCHR1ADRA2AMAPTLMNAKDM4E
SCHEMBL6876711 0.85 MCHR1 (0.43) MCHR1ADRA2AMAPTLMNAKDM4E
SCHEMBL6868943 0.84 SMN1; SMN2 (0.44) MCHR1ADRA2AMAPTLMNAPOLB
SCHEMBL6868937 0.84 SMN1; SMN2 (0.44) MCHR1ADRA2AMAPTLMNAPOLB
SCHEMBL6878575 0.83 MCHR1 (0.43) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6878585 0.83 MCHR1 (0.43) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6878637 0.83 MCHR1 (0.72) MCHR1ADRA2AMAPTLMNAPOLB

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