SCHEMBL6875281

SCHEMBL6875281

COc1nc(NC2CCC(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ncc1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.58
ADRA2A P08913 7/20 0.58
HRH1 P35367 5/20 0.58
ADRA1A P35348 4/20 0.58
HTR2B P41595 5/20 0.57
HTR1A P08908 1/20 0.57
LCK P06239 1/20 0.46
CNR1 P21554 1/20 0.45
KCNH2 Q12809 1/20 0.45
AURKB Q96GD4 1/20 0.45
BTK Q06187 1/20 0.44
CRHR1 P34998 1/20 0.41
PTK2 Q05397 1/20 0.41
HPGDS O60760 1/20 0.41

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
SCHEMBL6875276 1.00 MCHR1 (0.58) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6460220 0.85 MCHR1 (0.76) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6460225 0.85 MCHR1 (0.76) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6873248 0.85 MCHR1 (0.57) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6873245 0.85 MCHR1 (0.57) MCHR1ADRA2AHRH1ADRA1AHTR2B
Trifluoroacetic Acid SCHEMBL6462100 0.84 MCHR1 (0.58) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6466912 0.84 MCHR1 (0.76) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6463257 0.84 MCHR1 (0.78) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6463252 0.84 MCHR1 (0.78) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6466908 0.84 MCHR1 (0.76) MCHR1ADRA2AHRH1ADRA1AHTR2B

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