SCHEMBL6873333

SCHEMBL6873333

Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)CC2)nc1N(C)C

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.74
ADRA2A P08913 13/20 0.74
HTR2B P41595 7/20 0.74
HRH1 P35367 7/20 0.74
ADRA1A P35348 6/20 0.71
HTR1A P08908 2/20 0.57
CNR1 P21554 1/20 0.47
KCNH2 Q12809 1/20 0.47
AURKB Q96GD4 1/20 0.47
NPY5R Q15761 1/20 0.46

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
SCHEMBL6873337 1.00 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458367 0.91 MCHR1 (0.70) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458353 0.91 MCHR1 (0.70) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6457279 0.90 MCHR1 (0.68) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6461337 0.90 MCHR1 (0.82) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6461328 0.90 MCHR1 (0.82) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6457281 0.90 MCHR1 (0.68) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456672 0.89 MCHR1 (0.84) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456680 0.89 MCHR1 (0.84) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6867917 0.89 MCHR1 (0.81) MCHR1ADRA2AHTR2BHRH1ADRA1A

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