SCHEMBL6874261

SCHEMBL6874261

Cc1cc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)ccc1Cl

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.80
ADRA2A P08913 12/20 0.80
HTR2B P41595 9/20 0.80
HRH1 P35367 8/20 0.80
ADRA1A P35348 6/20 0.74
HTR1A P08908 2/20 0.52
NPY5R Q15761 1/20 0.50

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
SCHEMBL6874268 1.00 MCHR1 (0.80) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457538 0.94 MCHR1 (0.80) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457554 0.94 MCHR1 (0.80) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6461443 0.93 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6461451 0.93 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462200 0.91 MCHR1 (0.84) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462205 0.91 MCHR1 (0.84) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6466371 0.91 MCHR1 (0.82) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6459832 0.91 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6463368 0.91 MCHR1 (0.82) 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