SCHEMBL6879261

SCHEMBL6879261

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3sc(Cl)c(Cl)c3Cl)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.47
ADRA2A P08913 12/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
NPY5R Q15761 1/20 0.43
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6879263 1.00 MCHR1 (0.47) MCHR1ADRA2ARAB9ANPC1HTR1A
SCHEMBL27652990 0.86 MCHR1 (0.50) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6463528 0.86 RAB9A (0.49) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6461330 0.86 RAB9A (0.49) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6467599 0.84 MCHR1 (0.48) MCHR1ADRA2ARAB9ANPC1HTR1A
SCHEMBL6460413 0.84 MCHR1 (0.48) MCHR1ADRA2ARAB9ANPC1HTR1A
SCHEMBL6879865 0.83 MCHR1 (0.57) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6879862 0.83 MCHR1 (0.57) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6464493 0.83 MCHR1 (0.59) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6455845 0.83 MCHR1 (0.57) 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