SCHEMBL6877396

SCHEMBL6877396

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3F)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.53
ADRA2A P08913 12/20 0.53
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
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL6877402 1.00 MCHR1 (0.53) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL27651773 0.92 MCHR1 (0.52) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6875578 0.90 MCHR1 (0.47) MCHR1ADRA2ANPY5R
SCHEMBL6875585 0.90 MCHR1 (0.47) MCHR1ADRA2ANPY5R
SCHEMBL6459810 0.88 MCHR1 (0.59) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6459818 0.88 MCHR1 (0.59) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6873144 0.88 MCHR1 (0.51) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6873140 0.88 MCHR1 (0.51) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6877212 0.87 MCHR1 (0.53) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6877215 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