SCHEMBL6868084

SCHEMBL6868084

CN(C)c1nc(N[C@H]2CC[C@@H](N(Cc3ccc([N+](=O)[O-])cc3)C(=O)O)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.43
ADRA2A P08913 3/20 0.43
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 7/20 0.36
BCHE P06276 3/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 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
SCHEMBL6868077 1.00 MCHR1 (0.43) MCHR1ADRA2AKMT2AMEN1MAPT
SCHEMBL6868067 1.00 MCHR1 (0.43) MCHR1ADRA2AKMT2AMEN1MAPT
SCHEMBL6875905 0.86 MCHR1 (0.42) MCHR1ADRA2AKMT2AMEN1MAPT
SCHEMBL6875886 0.86 MCHR1 (0.42) MCHR1ADRA2AKMT2AMEN1MAPT
SCHEMBL6875896 0.86 MCHR1 (0.42) MCHR1ADRA2AKMT2AMEN1MAPT
SCHEMBL6868116 0.82 MCHR1 (0.56) MCHR1ADRA2AKMT2AMAPTHTT
SCHEMBL6868112 0.82 MCHR1 (0.56) MCHR1ADRA2AKMT2AMAPTHTT
SCHEMBL6874339 0.82 ADRA2A (0.44) MCHR1ADRA2AKMT2AMEN1MAPT
SCHEMBL27652714 0.81 MCHR1 (0.43) MCHR1ADRA2AHTTALDH1A1HRH1
SCHEMBL27652712 0.81 MCHR1 (0.43) MCHR1ADRA2AHTTALDH1A1HRH1

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