SCHEMBL6875729

SCHEMBL6875729

CN(C)c1cc(NC2CCC(NC(=O)c3ccc(F)cc3Cl)CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
MCHR1 Q99705 10/20 0.51
ADRA2A P08913 9/20 0.51
RAB9A P51151 2/20 0.48
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
NPY5R Q15761 1/20 0.47
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL6875723 1.00 HPGD (0.56) HPGDMCHR1ADRA2ARAB9AHTR1A
SCHEMBL6875760 0.91 MCHR1 (0.57) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6875767 0.91 MCHR1 (0.57) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL27651773 0.90 MCHR1 (0.52) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6877212 0.89 MCHR1 (0.53) HPGDMCHR1ADRA2ARAB9AHTR1A
SCHEMBL6877215 0.89 MCHR1 (0.53) HPGDMCHR1ADRA2ARAB9AHTR1A
SCHEMBL6875014 0.89 NPC1 (0.52) HPGDMCHR1ADRA2ARAB9ANPY5R
SCHEMBL6875012 0.89 NPC1 (0.52) HPGDMCHR1ADRA2ARAB9ANPY5R
SCHEMBL6877396 0.87 MCHR1 (0.53) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6877402 0.87 MCHR1 (0.53) 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