SCHEMBL6877597

SCHEMBL6877597

CN(C)c1ccnc(NC2CCC(CNC(=O)Cc3ccc(F)cc3Cl)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.49
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
HTR2B P41595 2/20 0.44
HRH1 P35367 1/20 0.44
P2RX7 Q99572 8/20 0.43
MAPK14 Q16539 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
HTR1A P08908 1/20 0.40

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
SCHEMBL6877590 1.00 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873326 0.90 MCHR1 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873330 0.90 MCHR1 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878080 0.87 NPC1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868658 0.86 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868664 0.86 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875165 0.85 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875162 0.85 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6467548 0.83 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6467545 0.83 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1

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