SCHEMBL6868255

SCHEMBL6868255

CN(C)c1cc(NC2CCC(NC(=O)c3ccc(I)cc3)CC2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.55
ADRA2A P08913 13/20 0.55
ADRA1A P35348 2/20 0.52
HRH1 P35367 2/20 0.52
HTR2B P41595 2/20 0.52
HTR1A P08908 1/20 0.52
NPY5R Q15761 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6868248 1.00 MCHR1 (0.55) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879865 0.93 MCHR1 (0.57) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879862 0.93 MCHR1 (0.57) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6880770 0.91 MCHR1 (0.56) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6880776 0.91 MCHR1 (0.56) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6456596 0.90 MCHR1 (0.56) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6456601 0.90 MCHR1 (0.56) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6461979 0.90 MCHR1 (0.68) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6461973 0.90 MCHR1 (0.68) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6455836 0.90 MCHR1 (0.57) MCHR1ADRA2AADRA1AHRH1HTR2B

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