SCHEMBL6877832

SCHEMBL6877832

CN(C)c1nc(NC2CCC(NC(=O)Nc3c(F)cccc3F)CC2)nc2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.48
ADRA2A P08913 13/20 0.44
HRH1 P35367 5/20 0.44
HTR2B P41595 5/20 0.44
ADRA1A P35348 3/20 0.44
HTR1A P08908 1/20 0.44
NPY5R Q15761 1/20 0.44
EPHX1 P07099 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
SCHEMBL6877825 1.00 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879285 0.90 EPHX1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879288 0.90 EPHX1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6869030 0.90 KMT2A (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6869037 0.90 KMT2A (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878606 0.89 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878601 0.89 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879572 0.89 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879578 0.89 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6869001 0.89 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A

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