SCHEMBL4411141

SCHEMBL4411141

Cc1cccc(Oc2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCCC(O)C5)CC4)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.41
ACHE P22303 1/20 0.36
SOS1 Q07889 1/20 0.35
FAAH O00519 3/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4411263 0.93 SLC6A3 (0.37) CCR8ACHEFAAHMAPTKMT2A
SCHEMBL4394218 0.92 CCR8 (0.41) CCR8SOS1FAAHHTR1AHTR7
SCHEMBL4404557 0.92 CCR8 (0.43) CCR8SOS1FAAHMAPTKMT2A
SCHEMBL4542491 0.89 HTR7 (0.37) CCR8HTR1AHTR7
SCHEMBL6963601 0.88 CCR8 (0.42) CCR8KMT2AHTR1AHTR7
SCHEMBL914582 0.88 CCR8 (0.42) CCR8KMT2AHTR1AHTR7
SCHEMBL4400741 0.85 L3MBTL1 (0.39) CCR8SOS1FAAH
SCHEMBL4403841 0.85 CCR8 (0.39) CCR8FAAH
SCHEMBL4406787 0.85 PARP1 (0.37) CCR8ACHEKMT2AHTR1AHTR7
SCHEMBL4405829 0.85 PARP1 (0.37) CCR8ACHEKMT2AHTR1AHTR7

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