SCHEMBL6877677

SCHEMBL6877677

COc1cc(OC)cc(C(=O)NCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.54
ADRA2A P08913 4/20 0.52
ADRA1A P35348 2/20 0.52
HTR2B P41595 2/20 0.52
HTR1A P08908 1/20 0.52
HRH1 P35367 1/20 0.50
CNR1 P21554 1/20 0.49
KCNH2 Q12809 1/20 0.49
AURKB Q96GD4 1/20 0.49
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
NPY5R Q15761 1/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL6877672 1.00 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6876282 0.91 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6876273 0.91 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6458701 0.88 MCHR1 (0.66) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6458696 0.88 MCHR1 (0.66) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6877794 0.87 MCHR1 (0.65) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875077 0.87 MCHR1 (0.71) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875080 0.87 MCHR1 (0.71) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6877798 0.87 MCHR1 (0.65) MCHR1ADRA2AADRA1AHTR2BHTR1A
Hydrochloric Acid SCHEMBL6458307 0.87 MCHR1 (0.65) MCHR1ADRA2AADRA1AHTR2BHTR1A

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