SCHEMBL6874403

SCHEMBL6874403

Cc1cnc(NC2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1N(C)C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.62
ADRA2A P08913 6/20 0.62
HTR2B P41595 6/20 0.62
HRH1 P35367 5/20 0.62
ADRA1A P35348 4/20 0.62
HTR1A P08908 1/20 0.57
EPHX2 P34913 9/20 0.49
PAK1 Q13153 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
SCHEMBL6874397 1.00 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456498 0.90 MCHR1 (0.65) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456503 0.90 MCHR1 (0.65) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464830 0.89 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464835 0.89 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874435 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874438 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458333 0.89 MCHR1 (0.57) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458320 0.89 MCHR1 (0.57) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456814 0.87 MCHR1 (0.62) 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