SCHEMBL6877339

SCHEMBL6877339

COc1ccc(F)c(CNCC2CCC(Nc3nccc(N(C)C)n3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.44
ADRA2A P08913 2/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
CNR1 P21554 1/20 0.38
KCNH2 Q12809 1/20 0.38
AURKB Q96GD4 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
EIF2AK2 P19525 1/20 0.37
PDE2A O00408 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MAPK6 Q16659 1/20 0.36
ROCK2 O75116 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
SCHEMBL6877329 1.00 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875677 0.90 MCHR1 (0.41) MCHR1ADRA2ANPY5RCNR1KCNH2
SCHEMBL6875669 0.90 MCHR1 (0.41) MCHR1ADRA2ANPY5RCNR1KCNH2
SCHEMBL6459873 0.89 APLNR (0.44) MCHR1ADRA2ANPY5RCNR1KCNH2
SCHEMBL6874596 0.89 APLNR (0.44) MCHR1ADRA2ANPY5RCNR1KCNH2
SCHEMBL6880445 0.88 MCHR1 (0.43) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6880450 0.88 MCHR1 (0.43) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6874476 0.85 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6874481 0.85 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875798 0.85 ACHE (0.48) MCHR1CNR1KCNH2AURKBACHE

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