SCHEMBL4398634

SCHEMBL4398634

O=C(NC1CCN(CCN2CCC(O)CC2)CC1)Oc1cc2c(Oc3cccc(F)c3)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR6 P50406 1/20 0.44
CCR3 P51677 5/20 0.40
SIGMAR1 Q99720 5/20 0.40
SSTR4 P31391 1/20 0.40
SOS1 Q07889 1/20 0.39
CCR8 P51685 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL4409226 0.94 HTR7 (0.40) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL4406827 0.93 HTR7 (0.44) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL4394218 0.90 CCR8 (0.41) HTR7HTR1ADRD2HTR6SOS1
SCHEMBL4406826 0.87 HTR7 (0.40) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL4400741 0.87 L3MBTL1 (0.39) DRD2SOS1CCR8
SCHEMBL4542491 0.86 HTR7 (0.37) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL914807 0.86 HTR7 (0.49) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL4399208 0.86 CCR3 (0.39) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL4409097 0.84 CCR8 (0.44) CCR3CCR8ALDH1A1
SCHEMBL4396955 0.84 MCHR1 (0.39) HTR7HTR1ADRD2HTR6SIGMAR1

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