SCHEMBL6876759

SCHEMBL6876759

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)NC(c3ccccc3)c3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.40
ADRA2A P08913 16/20 0.40
NPC1 O15118 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
HRH1 P35367 5/20 0.39
HTR2B P41595 5/20 0.39
ADRA1A P35348 3/20 0.39
HTR1A P08908 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL6876764 1.00 MCHR1 (0.40) MCHR1ADRA2ANPC1ALPLALPI
SCHEMBL6877575 0.91 ALPL (0.50) MCHR1ADRA2ANPC1ALPLALPI
SCHEMBL6877344 0.91 ALPL (0.50) MCHR1ADRA2ANPC1ALPLALPI
SCHEMBL6877350 0.91 ALPL (0.50) MCHR1ADRA2ANPC1ALPLALPI
SCHEMBL6877569 0.91 ALPL (0.50) MCHR1ADRA2ANPC1ALPLALPI
SCHEMBL6455676 0.89 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6455682 0.89 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456857 0.87 MCHR1 (0.39) MCHR1ADRA2ANPC1HRH1HTR2B
SCHEMBL6456851 0.87 MCHR1 (0.39) MCHR1ADRA2ANPC1HRH1HTR2B
SCHEMBL6878625 0.85 SMN1; SMN2 (0.45) MCHR1ADRA2ANPC1HRH1HTR2B

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