SCHEMBL6875905

SCHEMBL6875905

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.42
ADRA2A P08913 3/20 0.42
ACHE P22303 7/20 0.37
BCHE P06276 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35

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
SCHEMBL6875896 1.00 MCHR1 (0.42) MCHR1ADRA2AACHEBCHEKMT2A
SCHEMBL6875886 1.00 MCHR1 (0.42) MCHR1ADRA2AACHEBCHEKMT2A
SCHEMBL6866914 0.89 HDAC1 (0.42) MCHR1ADRA2AMAPK1HDAC1HDAC6
SCHEMBL6866911 0.89 HDAC1 (0.42) MCHR1ADRA2AMAPK1HDAC1HDAC6
SCHEMBL6868084 0.86 MCHR1 (0.43) MCHR1ADRA2AACHEBCHEKMT2A
SCHEMBL6868077 0.86 MCHR1 (0.43) MCHR1ADRA2AACHEBCHEKMT2A
SCHEMBL6868067 0.86 MCHR1 (0.43) MCHR1ADRA2AACHEBCHEKMT2A
SCHEMBL6877327 0.83 MCHR1 (0.35) MCHR1ADRA2AHTTSMN1; SMN2
SCHEMBL6877335 0.83 MCHR1 (0.35) MCHR1ADRA2AHTTSMN1; SMN2
SCHEMBL6872959 0.82 MCHR1 (0.40) MCHR1ADRA2AACHEBCHEKMT2A

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