SCHEMBL6872078

SCHEMBL6872078

CN(C)c1cc(NC2CCC(CNCc3ccc(O)cc3Cl)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.45
MCHR1 Q99705 5/20 0.45
ADRA2A P08913 4/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ACHE P22303 3/20 0.35
CXCR4 P61073 2/20 0.35
PDE10A Q9Y233 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
SCHEMBL6872073 1.00 NPY5R (0.45) NPY5RMCHR1ADRA2AMEN1KMT2A
SCHEMBL6874117 0.86 MCHR1 (0.45) NPY5RMCHR1ADRA2AMEN1KMT2A
SCHEMBL6874121 0.86 MCHR1 (0.45) NPY5RMCHR1ADRA2AMEN1KMT2A
SCHEMBL6877871 0.86 NPY5R (0.48) NPY5RMCHR1ADRA2AMEN1KMT2A
SCHEMBL6868742 0.84 MCHR1 (0.48) NPY5RMCHR1ADRA2AMEN1KMT2A
SCHEMBL6875375 0.84 MCHR1 (0.48) NPY5RMCHR1ADRA2AMEN1KMT2A
SCHEMBL6868739 0.84 MCHR1 (0.48) NPY5RMCHR1ADRA2AMEN1KMT2A
SCHEMBL6875379 0.84 MCHR1 (0.48) NPY5RMCHR1ADRA2AMEN1KMT2A
SCHEMBL13796860 0.84 MCHR1 (0.63) NPY5RMCHR1ADRA2A
SCHEMBL6868360 0.83 MCHR1 (0.47) NPY5RMCHR1ADRA2AMEN1KMT2A

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