SCHEMBL6877941

SCHEMBL6877941

COc1cc(Br)c(CNC[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
ADRA2A P08913 7/20 0.46
NPY5R Q15761 4/20 0.46
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
EHMT2 Q96KQ7 5/20 0.36
LMNA P02545 1/20 0.35
ADRA1A P35348 2/20 0.35
HTR2B P41595 2/20 0.35
HRH1 P35367 1/20 0.35
HTR1A P08908 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
SCHEMBL6877946 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6878131 0.92 MCHR1 (0.44) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6878137 0.92 MCHR1 (0.44) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6874307 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5REHMT2ADRA1A
SCHEMBL6872913 0.90 MCHR1 (0.45) MCHR1ADRA2ANPY5REHMT2ADRA1A
SCHEMBL6872909 0.90 MCHR1 (0.45) MCHR1ADRA2ANPY5REHMT2ADRA1A
SCHEMBL6875024 0.88 MCHR1 (0.53) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6875028 0.88 MCHR1 (0.53) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6456909 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5REHMT2ADRA1A
SCHEMBL6456916 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5REHMT2ADRA1A

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