SCHEMBL6866843

SCHEMBL6866843

C[C@H](NC(=O)c1ccccc1C(=O)NC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.49
TACR3 P29371 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
MAPT P10636 2/20 0.46
ADRA2A P08913 8/20 0.45
RAB9A P51151 2/20 0.43
KCNB1 Q14721 1/20 0.43
KCNB2 Q92953 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
NPY5R Q15761 1/20 0.43

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
SCHEMBL6866842 1.00 MCHR1 (0.49) MCHR1TACR3RXFP1MAPTADRA2A
SCHEMBL6880216 0.90 MCHR1 (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6880213 0.90 MCHR1 (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6872567 0.89 MCHR1 (0.49) MCHR1RXFP1MAPTADRA2ARAB9A
SCHEMBL6872563 0.89 MCHR1 (0.49) MCHR1RXFP1MAPTADRA2ARAB9A
SCHEMBL6868601 0.89 EPHX1 (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6868596 0.89 EPHX1 (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6867270 0.85 ALPL (0.52) MCHR1ADRA2A
SCHEMBL6867275 0.85 ALPL (0.52) MCHR1ADRA2A
SCHEMBL6877534 0.85 MCHR1 (0.53) MCHR1RXFP1MAPTADRA2ARAB9A

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