SCHEMBL6867061

SCHEMBL6867061

CN(C)c1nc(NC2CCC(CNC(=O)Cc3ccc(F)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.47
ADRA2A P08913 6/20 0.47
ADRA1A P35348 3/20 0.47
HTR2B P41595 3/20 0.47
HRH1 P35367 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTR1A P08908 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPY5R Q15761 1/20 0.39
AIMP2 Q13155 1/20 0.37
ENO1 P06733 1/20 0.36

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
SCHEMBL6867058 1.00 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL7041689 0.92 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874118 0.91 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457583 0.90 MCHR1 (0.52) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457572 0.90 MCHR1 (0.52) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6456447 0.89 EPHX2 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6456440 0.89 EPHX2 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868725 0.88 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868729 0.88 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6871988 0.87 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1

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