SCHEMBL6869159

SCHEMBL6869159

Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1N(C)C

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.74
ADRA2A P08913 6/20 0.74
HTR2B P41595 6/20 0.74
HRH1 P35367 5/20 0.74
ADRA1A P35348 4/20 0.74
HTR1A P08908 1/20 0.69
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MAPK14 Q16539 2/20 0.46

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
SCHEMBL6869163 1.00 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868304 0.95 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868298 0.95 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874457 0.91 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874459 0.91 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463156 0.90 MCHR1 (0.82) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877732 0.90 MCHR1 (0.75) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463166 0.90 MCHR1 (0.82) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6872774 0.88 MCHR1 (0.85) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874678 0.88 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A

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