SCHEMBL6878992

SCHEMBL6878992

CN(C)c1nc(NC2CCC(CNCc3c[nH]c4ccc(Br)cc34)CC2)nc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.49
ADRA2A P08913 9/20 0.49
NPY5R Q15761 4/20 0.49
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A4 P31645 3/20 0.37
IDO1 P14902 1/20 0.37
HTR1A P08908 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 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
SCHEMBL6460992 1.00 MCHR1 (0.49) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6457965 0.90 ADRA2A (0.46) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6874250 0.90 ADRA2A (0.46) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6456848 0.89 BCHE (0.43) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6878474 0.89 BCHE (0.43) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6876052 0.88 NPY5R (0.46) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6457143 0.88 NPY5R (0.46) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL13796380 0.85 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6875028 0.83 MCHR1 (0.53) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6875024 0.83 MCHR1 (0.53) MCHR1ADRA2ANPY5RADRA1AHRH1

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