SCHEMBL6880801

SCHEMBL6880801

CN(C)c1cc(N[C@H]2CC[C@@H](CNCc3ccccc3C#N)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.45
ADRA2A P08913 5/20 0.44
NPY5R Q15761 5/20 0.44
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PRKCQ Q04759 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
BCHE P06276 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
SCHEMBL6880806 1.00 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6875379 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6868739 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6868742 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6875375 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6877871 0.85 NPY5R (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6879036 0.84 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6879043 0.84 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6456819 0.83 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6880013 0.83 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ELMNA

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