SCHEMBL6873453

SCHEMBL6873453

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.35
ADRA2A P08913 15/20 0.35
HTR2B P41595 6/20 0.35
ADRA1A P35348 4/20 0.35
HTR1A P08908 2/20 0.35
HRH1 P35367 5/20 0.34
NPY5R Q15761 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL6880534 0.91 MCHR1 (0.35) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6880529 0.91 MCHR1 (0.35) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6868783 0.84 MCHR1 (0.37) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6868774 0.84 MCHR1 (0.37) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6877151 0.84 MCHR1 (0.36) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6877156 0.84 MCHR1 (0.36) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6868067 0.80 MCHR1 (0.43) MCHR1ADRA2AHTR2BHRH1
SCHEMBL6876313 0.80 MCHR1 (0.38) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6868077 0.80 MCHR1 (0.43) MCHR1ADRA2AHTR2BHRH1
SCHEMBL6868084 0.80 MCHR1 (0.43) MCHR1ADRA2AHTR2BHRH1

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