SCHEMBL4396955

SCHEMBL4396955

O=C(NC1CCN(CCN2CCCCCC2)CC1)Oc1cc2c(Oc3ccc(F)c(F)c3)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
CCR8 P51685 3/20 0.38
SIGMAR1 Q99720 2/20 0.37
FAAH O00519 5/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
PLD2 O14939 1/20 0.35
PLD1 Q13393 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
SCHEMBL4399208 0.93 CCR3 (0.39) CCR8SIGMAR1HTR1ADRD2HTR7
SCHEMBL4406827 0.91 HTR7 (0.44) MCHR1CCR8SIGMAR1HTR1ADRD2
SCHEMBL4406826 0.90 HTR7 (0.40) CCR8SIGMAR1FAAHHTR1ADRD2
SCHEMBL4409097 0.89 CCR8 (0.44) CCR8FAAH
SCHEMBL4403841 0.88 CCR8 (0.39) MCHR1CCR8FAAH
SCHEMBL4404557 0.88 CCR8 (0.43) MCHR1CCR8FAAHHTR1AHTR7
SCHEMBL915415 0.87 MCHR1 (0.45) MCHR1CCR8HTR1ADRD2HTR7
SCHEMBL4401901 0.84 HTR4 (0.46) CCR8SIGMAR1DRD2
SCHEMBL4398634 0.84 HTR7 (0.44) CCR8SIGMAR1HTR1ADRD2HTR7
SCHEMBL4409226 0.83 HTR7 (0.40) CCR8SIGMAR1FAAHHTR1ADRD2

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-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed