SCHEMBL6877675

SCHEMBL6877675

Cc1cnc(N[C@H]2CC[C@@H](NCc3cc(Cl)cc(Cl)c3)CC2)nc1N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.62
ADRA2A P08913 8/20 0.56
HTR2B P41595 6/20 0.56
HRH1 P35367 5/20 0.56
ADRA1A P35348 4/20 0.49
HTR1A P08908 1/20 0.47
BTK Q06187 2/20 0.42
MAPK1 P28482 4/20 0.37
CHEK1 O14757 1/20 0.36
IKBKB O14920 1/20 0.36
AURKA O14965 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
FGFR1 P11362 1/20 0.36
SELP P16109 1/20 0.36

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
SCHEMBL6873929 0.89 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873926 0.89 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875152 0.86 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875146 0.86 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877606 0.85 TSHR (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464429 0.85 TSHR (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879245 0.84 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879241 0.84 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875990 0.84 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875998 0.84 MCHR1 (0.63) 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