SCHEMBL6875935

SCHEMBL6875935

CN(C)c1nc(N[C@H]2CC[C@@H](N(CCOCc3ccccc3)C(=O)O)CC2)nc2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.39
MCHR1 Q99705 12/20 0.37
ADRA2A P08913 11/20 0.37
PYGL P06737 1/20 0.37
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
NPY5R Q15761 1/20 0.35
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL6875943 1.00 EHMT2 (0.39) EHMT2MCHR1ADRA2APYGLHTR1A
SCHEMBL6879134 0.87 EHMT2 (0.38) EHMT2MCHR1ADRA2AHTR1AADRA1A
SCHEMBL6879138 0.87 EHMT2 (0.38) EHMT2MCHR1ADRA2AHTR1AADRA1A
SCHEMBL6868774 0.86 MCHR1 (0.37) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6868783 0.86 MCHR1 (0.37) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6460216 0.82 EHMT2 (0.44) EHMT2MCHR1ADRA2AHTR1AADRA1A
SCHEMBL6460210 0.82 EHMT2 (0.44) EHMT2MCHR1ADRA2AHTR1AADRA1A
SCHEMBL27632573 0.82 DRD2 (0.39) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL27632572 0.82 DRD2 (0.39) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL7046594 0.81 ALDH1A1 (0.50) MCHR1ADRA2AHTR1AADRA1AHRH1

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