SCHEMBL2789446

SCHEMBL2789446

O=C(O)N1CCC2(CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)C1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.73
KCNH2 Q12809 1/20 0.73
FAAH O00519 19/20 0.68
MGLL Q99685 1/20 0.66

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
SCHEMBL2791789 0.95 CCR8 (0.69) CCR8KCNH2FAAHMGLL
SCHEMBL2790802 0.95 CCR8 (0.71) CCR8KCNH2FAAH
SCHEMBL2791333 0.94 FAAH (0.71) CCR8KCNH2FAAHMGLL
SCHEMBL2789561 0.94 CCR8 (0.79) CCR8KCNH2FAAHMGLL
SCHEMBL2790090 0.91 CCR8 (0.68) CCR8KCNH2FAAHMGLL
SCHEMBL5431975 0.86 CCR8 (0.87) CCR8KCNH2FAAH
SCHEMBL3355088 0.86 FAAH (0.74) CCR8KCNH2FAAH
SCHEMBL5197063 0.86 CCR8 (0.74) CCR8KCNH2FAAHMGLL
SCHEMBL5399510 0.83 CCR8 (0.67) CCR8KCNH2FAAH
SCHEMBL896968 0.82 FAAH (0.63) CCR8KCNH2FAAHMGLL

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
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed