SCHEMBL6876594

SCHEMBL6876594

CN(C)c1ccnc(NC2CCC(CNC(=O)c3cccc(Cl)c3F)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.50
CHRM1 P11229 1/20 0.48
ADRA2A P08913 4/20 0.47
HTR2B P41595 3/20 0.47
ADRA1A P35348 2/20 0.47
HRH1 P35367 2/20 0.47
CNR2 P34972 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTR1A P08908 1/20 0.43
MAPK14 Q16539 3/20 0.42
NPY5R Q15761 1/20 0.41
P2RX7 Q99572 1/20 0.40
AURKA O14965 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
SCHEMBL6876588 1.00 MCHR1 (0.50) MCHR1CHRM1ADRA2AHTR2BADRA1A
SCHEMBL6873221 0.92 MCHR1 (0.53) MCHR1CHRM1ADRA2AHTR2BADRA1A
SCHEMBL6875455 0.92 MCHR1 (0.51) MCHR1CHRM1ADRA2AHTR2BADRA1A
SCHEMBL6875462 0.92 MCHR1 (0.51) MCHR1CHRM1ADRA2AHTR2BADRA1A
SCHEMBL6867713 0.89 MCHR1 (0.53) MCHR1CHRM1ADRA2AHTR2BADRA1A
SCHEMBL6867719 0.89 MCHR1 (0.53) MCHR1CHRM1ADRA2AHTR2BADRA1A
SCHEMBL6878793 0.89 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6878801 0.89 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6878626 0.89 MCHR1 (0.50) MCHR1CHRM1ADRA2AHTR2BADRA1A
SCHEMBL6878633 0.89 MCHR1 (0.50) MCHR1CHRM1ADRA2AHTR2BADRA1A

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