SCHEMBL6866914

SCHEMBL6866914

CN(C)c1nc(NC2CCC(CN(Cc3ccccc3)C(=O)O)CC2)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MCHR1 Q99705 11/20 0.40
ADRA2A P08913 10/20 0.40
NPY5R Q15761 4/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK1 P28482 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 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
SCHEMBL6866911 1.00 HDAC1 (0.42) HDAC1HDAC6MCHR1ADRA2ANPY5R
SCHEMBL6875886 0.89 MCHR1 (0.42) HDAC1HDAC6MCHR1ADRA2AADRA1A
SCHEMBL6875769 0.89 L3MBTL1 (0.45) MCHR1ADRA2ANPY5RTAS2R14HTR1A
SCHEMBL6875896 0.89 MCHR1 (0.42) HDAC1HDAC6MCHR1ADRA2AADRA1A
SCHEMBL6875777 0.89 L3MBTL1 (0.45) MCHR1ADRA2ANPY5RTAS2R14HTR1A
SCHEMBL6875905 0.89 MCHR1 (0.42) HDAC1HDAC6MCHR1ADRA2AADRA1A
SCHEMBL6879134 0.88 EHMT2 (0.38) HDAC1HDAC6MCHR1ADRA2ANPY5R
SCHEMBL6879138 0.88 EHMT2 (0.38) HDAC1HDAC6MCHR1ADRA2ANPY5R
SCHEMBL6877568 0.87 MCHR1 (0.38) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6877577 0.87 MCHR1 (0.38) MCHR1ADRA2ANPY5RHTR1AADRA1A

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