SCHEMBL6880846

SCHEMBL6880846

CCOc1ccccc1C(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.50
USP2 O75604 2/20 0.47
ADRA2A P08913 10/20 0.46
HRH1 P35367 4/20 0.45
HTR2B P41595 4/20 0.45
ADRA1A P35348 2/20 0.45
OPRK1 P41145 1/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR7 P34969 2/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42

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
SCHEMBL6880853 1.00 MCHR1 (0.50) MCHR1USP2ADRA2AHRH1HTR2B
SCHEMBL6873440 0.90 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873446 0.90 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463991 0.88 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463996 0.88 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877930 0.87 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877937 0.87 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6467491 0.86 TP53 (0.47) MCHR1ADRA2AMEN1ALDH1A1KMT2A
SCHEMBL6467487 0.86 TP53 (0.47) MCHR1ADRA2AMEN1ALDH1A1KMT2A
SCHEMBL6877757 0.85 MCHR1 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A

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