SCHEMBL6877817

SCHEMBL6877817

CN(C)c1ccnc(NC2CCC(CNC(=O)CCc3ccccc3O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.43
CNR2 P34972 2/20 0.41
BACE1 P56817 2/20 0.40
ADRA2A P08913 3/20 0.40
ADRA1A P35348 2/20 0.40
HTR2B P41595 2/20 0.40
HRH1 P35367 1/20 0.40
CNR1 P21554 1/20 0.39
POLB P06746 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPY5R Q15761 2/20 0.35
ENPP2 Q13822 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL6877812 1.00 MCHR1 (0.43) MCHR1CNR2BACE1ADRA2AADRA1A
SCHEMBL6880113 0.90 MTNR1A (0.42) MCHR1CNR2ADRA2AADRA1AHTR2B
SCHEMBL6880107 0.90 MTNR1A (0.42) MCHR1CNR2ADRA2AADRA1AHTR2B
SCHEMBL6457031 0.83 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457021 0.83 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873830 0.83 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873825 0.83 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6456731 0.83 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6456719 0.83 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6866999 0.82 CNR2 (0.48) MCHR1CNR2ADRA2AADRA1AHTR2B

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