SCHEMBL6874497

SCHEMBL6874497

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3c4ccccc4cc4ccccc34)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.48
ADRA2A P08913 11/20 0.47
HRH1 P35367 4/20 0.47
HTR2B P41595 4/20 0.47
ADRA1A P35348 3/20 0.47
CCR1 P32246 1/20 0.47
HTR1A P08908 1/20 0.45
NPY5R Q15761 1/20 0.45
CNR1 P21554 1/20 0.44
KCNH2 Q12809 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL6874502 1.00 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877485 0.85 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877476 0.85 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877945 0.85 ALDH1A1 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877953 0.85 ALDH1A1 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878847 0.84 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878850 0.84 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877882 0.83 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877874 0.83 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867804 0.83 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A

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