SCHEMBL6878148

SCHEMBL6878148

CN(C)c1cc(NC2CCC(NC(=O)c3cc(-c4ccc(Cl)cc4)oc3C(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.44
ADRA2A P08913 9/20 0.43
RAB9A P51151 1/20 0.41
KLK7 P49862 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL6878141 1.00 MCHR1 (0.44) MCHR1ADRA2ARAB9AKLK7HTR1A
SCHEMBL6873592 0.86 MCHR1 (0.47) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL27653069 0.86 MCHR1 (0.47) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL13797488 0.86 MCHR1 (0.61) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6873300 0.84 RAB9A (0.54) MCHR1ADRA2ARAB9AKLK7HTR1A
SCHEMBL6873297 0.84 RAB9A (0.54) MCHR1ADRA2ARAB9AKLK7HTR1A
SCHEMBL6455845 0.81 MCHR1 (0.57) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6455852 0.81 MCHR1 (0.57) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6459641 0.79 MCHR1 (0.51) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6459623 0.79 MCHR1 (0.51) MCHR1ADRA2ARAB9AHTR1AADRA1A

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