SCHEMBL6877397

SCHEMBL6877397

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
MCHR1 Q99705 11/20 0.40
ADRA2A P08913 10/20 0.40
NLRP3 Q96P20 3/20 0.40
HRH1 P35367 2/20 0.37
HTR2B P41595 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
NPY5R Q15761 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
SCHEMBL6877392 1.00 L3MBTL1 (0.41) L3MBTL1MCHR1ADRA2ANLRP3HRH1
SCHEMBL6875937 0.94 NLRP3 (0.47) L3MBTL1MCHR1ADRA2ANLRP3
SCHEMBL6875941 0.94 NLRP3 (0.47) L3MBTL1MCHR1ADRA2ANLRP3
SCHEMBL4035978 0.86 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BHTR1A
SCHEMBL4210512 0.86 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BHTR1A
SCHEMBL6875594 0.86 CYP2C9 (0.40) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875598 0.86 CYP2C9 (0.40) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875589 0.86 CYP2C9 (0.40) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875039 0.81 EPHX1 (0.51) MCHR1ADRA2AHRH1HTR2BHTR1A
SCHEMBL6875033 0.81 EPHX1 (0.51) MCHR1ADRA2AHRH1HTR2BHTR1A

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