SCHEMBL6869393

SCHEMBL6869393

Cc1cnc(NC2CCC(NC(=O)CS(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc1N(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.54
ADRA2A P08913 8/20 0.54
HTR2B P41595 6/20 0.54
HRH1 P35367 5/20 0.54
ADRA1A P35348 4/20 0.54
HTR1A P08908 1/20 0.50
PTK2 Q05397 6/20 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
SCHEMBL6460440 0.83 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6460447 0.83 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6458330 0.83 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6458321 0.83 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6457366 0.82 MCHR1 (0.49) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6457358 0.82 MCHR1 (0.49) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877429 0.81 MCHR1 (0.65) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877432 0.81 MCHR1 (0.65) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456024 0.81 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456029 0.81 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A

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 claimed