SCHEMBL6875579

SCHEMBL6875579

COc1ccc(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.42
ADRA2A P08913 4/20 0.42
NPY5R Q15761 2/20 0.42
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
APP P05067 1/20 0.39
ADRA1A P35348 2/20 0.39
HTR2B P41595 2/20 0.39
HRH1 P35367 1/20 0.39
HTR1A P08908 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TUBB3 Q13509 1/20 0.36
EHMT2 Q96KQ7 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
SCHEMBL6875570 1.00 MCHR1 (0.42) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6878189 0.94 BCHE (0.46) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6878188 0.94 BCHE (0.46) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6876922 0.90 BCHE (0.41) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6464230 0.90 BCHE (0.41) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6876919 0.88 MCHR1 (0.41) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6877050 0.88 MCHR1 (0.41) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6877060 0.88 MCHR1 (0.41) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6876906 0.88 MCHR1 (0.41) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6460400 0.88 MCHR1 (0.40) MCHR1ADRA2ANPY5RBCHEACHE

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