SCHEMBL4399208

SCHEMBL4399208

O=C(NC1CCN(CCN2CCCCCC2)CC1)Oc1cc2c(Oc3ccc(F)cc3)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.39
SIGMAR1 Q99720 6/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 4/20 0.38
HTR1A P08908 3/20 0.38
DRD2 P14416 2/20 0.38
HTR6 P50406 2/20 0.38
CCR8 P51685 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL4406826 0.94 HTR7 (0.40) CCR3SIGMAR1HTR7HTR1ADRD2
SCHEMBL4406827 0.93 HTR7 (0.44) CCR3SIGMAR1HTR7HTR1ADRD2
SCHEMBL4409097 0.93 CCR8 (0.44) CCR3CCR8MEN1ALDH1A1HPGD
SCHEMBL4396955 0.93 MCHR1 (0.39) SIGMAR1HTR7HTR1ADRD2HTR6
SCHEMBL4403841 0.92 CCR8 (0.39) CCR8SLC6A3SLC18A2
SCHEMBL4404557 0.88 CCR8 (0.43) HTR7HTR1ACCR8MEN1MAPT
SCHEMBL4409226 0.87 HTR7 (0.40) CCR3SIGMAR1HTR7HTR1ADRD2
SCHEMBL4401901 0.87 HTR4 (0.46) SIGMAR1DRD2CCR8ALDH1A1HPGD
SCHEMBL4398634 0.86 HTR7 (0.44) CCR3SIGMAR1HTR7HTR1ADRD2
SCHEMBL4542491 0.86 HTR7 (0.37) CCR3SIGMAR1HTR7HTR1ADRD2

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