SCHEMBL7045685

SCHEMBL7045685

COc1cc(CNC[C@H]2CC[C@@H](Nc3nc4c(c(N(C)c5ccccc5C)n3)CCCC4)CC2)cc(F)c1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.38
MCHR1 Q99705 2/20 0.38
NPY5R Q15761 1/20 0.38
TUBB3 Q13509 2/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
APP P05067 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
SCHEMBL6463460 0.90 MCHR1 (0.41) ADRA2AMCHR1NPY5RADRA1AHRH1
SCHEMBL6463472 0.90 MCHR1 (0.41) ADRA2AMCHR1NPY5RADRA1AHRH1
SCHEMBL6876919 0.85 MCHR1 (0.41) ADRA2AMCHR1NPY5RADRA1AHRH1
SCHEMBL6876906 0.85 MCHR1 (0.41) ADRA2AMCHR1NPY5RADRA1AHRH1
SCHEMBL6460998 0.81 MCHR1 (0.38) ADRA2AMCHR1NPY5RADRA1AHRH1
SCHEMBL6461007 0.81 MCHR1 (0.38) ADRA2AMCHR1NPY5RADRA1AHRH1
SCHEMBL6878188 0.80 BCHE (0.46) ADRA2AMCHR1NPY5RBCHEACHE
SCHEMBL6878189 0.80 BCHE (0.46) ADRA2AMCHR1NPY5RBCHEACHE
SCHEMBL6877050 0.80 MCHR1 (0.41) ADRA2AMCHR1NPY5RADRA1AHRH1
SCHEMBL6877060 0.80 MCHR1 (0.41) ADRA2AMCHR1NPY5RADRA1AHRH1

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