SCHEMBL6877871

SCHEMBL6877871

CN(C)c1cc(N[C@H]2CC[C@@H](CNCc3ccc(N(C)C)c4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.48
MCHR1 Q99705 7/20 0.48
ADRA2A P08913 6/20 0.48
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
VCP P55072 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 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
SCHEMBL6874814 0.90 MCHR1 (0.49) NPY5RMCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6462424 0.90 MCHR1 (0.49) NPY5RMCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6868742 0.88 MCHR1 (0.48) NPY5RMCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6875375 0.88 MCHR1 (0.48) NPY5RMCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6875379 0.88 MCHR1 (0.48) NPY5RMCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6868739 0.88 MCHR1 (0.48) NPY5RMCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6872073 0.86 NPY5R (0.45) NPY5RMCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6872078 0.86 NPY5R (0.45) NPY5RMCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6875011 0.85 MCHR1 (0.49) NPY5RMCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6873090 0.85 MCHR1 (0.47) NPY5RMCHR1ADRA2ALMNASMN1; SMN2

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