SCHEMBL6878154

SCHEMBL6878154

COc1cc(CNCC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc(F)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.44
ADRA2A P08913 6/20 0.43
NPY5R Q15761 5/20 0.43
APP P05067 3/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL6878143 1.00 MCHR1 (0.44) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6880677 0.95 MCHR1 (0.47) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6880690 0.95 MCHR1 (0.47) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6867620 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6867626 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6873700 0.88 ACHE (0.54) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6873706 0.88 ACHE (0.54) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6874649 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6874645 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6873489 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPPBCHE

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