SCHEMBL7041689

SCHEMBL7041689

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)Cc3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.43
ADRA2A P08913 6/20 0.43
ADRA1A P35348 3/20 0.43
HTR2B P41595 3/20 0.43
HRH1 P35367 2/20 0.43
NPY5R Q15761 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
HTR1A P08908 2/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
PDE4B Q07343 1/20 0.39

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 0.92 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6867061 0.92 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874118 0.92 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6456440 0.90 EPHX2 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6456447 0.90 EPHX2 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877146 0.89 EPHX2 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877138 0.89 EPHX2 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875597 0.88 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875603 0.88 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880125 0.88 MCHR1 (0.42) 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