SCHEMBL3936747

SCHEMBL3936747

CCN1CCC(NC(=O)c2ccc(N)c(OC)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.57
MCHR1 Q99705 3/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
DRD4 P21917 2/20 0.52
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR1D P28221 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR2B P41595 1/20 0.50
HTR3A P46098 1/20 0.50

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
SCHEMBL3548018 1.00 HTR4 (0.57) HTR4MCHR1KDM4EMEN1MAPT
SCHEMBL1560183 0.93 HTR4 (0.63) HTR4MCHR1KDM4EMEN1MAPT
SCHEMBL13880922 0.91 HTR4 (0.53) HTR4MCHR1KDM4EMEN1MAPT
SCHEMBL12825889 0.89 HTR4 (0.55) HTR4MCHR1DRD4CHRM4CHRM5
SCHEMBL12825887 0.87 HTR4 (0.66) HTR4MCHR1KDM4EMEN1MAPT
SCHEMBL12426664 0.86 DRD4 (0.70) MCHR1DRD4ADRA2CHTR2BHTR3A
SCHEMBL12426323 0.86 DRD4 (0.70) MCHR1DRD4ADRA2CHTR2BHTR3A
SCHEMBL13175736 0.85 HTR4 (0.54) HTR4MCHR1CHRM4CHRM5ADRA2C
SCHEMBL13846090 0.85 HTR4 (0.54) HTR4MCHR1CHRM4CHRM5ADRA2C
SCHEMBL3544670 0.85 HTR4 (0.54) HTR4MCHR1CHRM4CHRM5ADRA2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed