SCHEMBL6874802

SCHEMBL6874802

CC(C)c1ccccc1NC(=O)NC[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.42
ADRA2A P08913 2/20 0.39
ADRA1A P35348 2/20 0.39
HTR2B P41595 2/20 0.39
HRH1 P35367 1/20 0.39
CXCR4 P61073 1/20 0.39
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
MAPK14 Q16539 3/20 0.38
MAPK8 P45983 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
HTR1A P08908 1/20 0.37
JUN P05412 1/20 0.35
MAPK9 P45984 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6874810 1.00 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6459601 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6459615 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876325 0.88 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876330 0.88 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873169 0.88 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873173 0.88 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875689 0.87 MAPK14 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875360 0.87 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875353 0.87 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1

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