SCHEMBL6866557

SCHEMBL6866557

COc1cccc(OC)c1CNCC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.43
ADRA2A P08913 6/20 0.43
NPY5R Q15761 3/20 0.43
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL6465834 1.00 MCHR1 (0.43) MCHR1ADRA2ANPY5RAURKADAPK3
SCHEMBL6875706 0.90 MCHR1 (0.41) MCHR1ADRA2ANPY5RAURKBADRA1A
SCHEMBL6875712 0.90 MCHR1 (0.41) MCHR1ADRA2ANPY5RAURKBADRA1A
SCHEMBL6872838 0.90 ADRA2A (0.45) MCHR1ADRA2ANPY5RTUBB3ACHE
SCHEMBL6872840 0.90 ADRA2A (0.45) MCHR1ADRA2ANPY5RTUBB3ACHE
SCHEMBL6877407 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RTUBB3ADRA1A
SCHEMBL6877399 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RTUBB3ADRA1A
SCHEMBL6879461 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RTUBB3
SCHEMBL6879458 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RTUBB3
SCHEMBL6869384 0.89 AURKA (0.42) MCHR1ADRA2AAURKADAPK3JAK2

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