SCHEMBL6878712

SCHEMBL6878712

Cc1cnc(NC2CCC(NC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nc1N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.62
ADRA2A P08913 8/20 0.62
HTR2B P41595 7/20 0.62
HRH1 P35367 6/20 0.62
ADRA1A P35348 4/20 0.58
EPHX2 P34913 2/20 0.49
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PAK1 Q13153 1/20 0.46
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6878703 1.00 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6869378 0.92 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6869383 0.92 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6455380 0.89 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6455382 0.89 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875639 0.88 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875646 0.88 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876050 0.87 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876045 0.87 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458399 0.86 MCHR1 (0.73) 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