SCHEMBL6880587

SCHEMBL6880587

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)Nc3ccccc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.45
ADRA2A P08913 6/20 0.41
HTR2B P41595 3/20 0.41
ADRA1A P35348 2/20 0.41
HRH1 P35367 2/20 0.41
HTR1A P08908 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY5R Q15761 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TP53 P04637 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37

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
SCHEMBL6880591 1.00 MCHR1 (0.45) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6463152 0.93 MCHR1 (0.44) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6463150 0.93 MCHR1 (0.44) MCHR1ADRA2AHTR2BADRA1AHRH1
Hydrochloric Acid SCHEMBL6456436 0.93 MCHR1 (0.43) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6458297 0.93 TP53 (0.46) MCHR1ADRA2AHTR2BADRA1AHRH1
Hydrochloric Acid SCHEMBL6456443 0.93 MCHR1 (0.43) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6458303 0.93 TP53 (0.46) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6878375 0.91 MCHR1 (0.44) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6878369 0.91 MCHR1 (0.44) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6461747 0.90 MCHR1 (0.45) MCHR1ADRA2AHTR2BADRA1AHRH1

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