SCHEMBL2789291

SCHEMBL2789291

O=C(O)N1CCC2(CCCN2Cc2cccc(Oc3ccc(Cl)cc3)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.64
CCR8 P51685 1/20 0.54
KCNH2 Q12809 1/20 0.54
MGLL Q99685 1/20 0.52
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL896323 0.82 FAAH (0.91) FAAH
SCHEMBL1556555 0.82 EPHX2 (0.53) MGLLALDH1A1
SCHEMBL2789446 0.81 CCR8 (0.73) FAAHCCR8KCNH2MGLL
SCHEMBL2791789 0.80 CCR8 (0.69) FAAHCCR8KCNH2MGLL
SCHEMBL2790090 0.80 CCR8 (0.68) FAAHCCR8KCNH2MGLL
SCHEMBL2791333 0.79 FAAH (0.71) FAAHCCR8KCNH2MGLL
SCHEMBL896250 0.79 FAAH (0.74) FAAH
SCHEMBL896490 0.79 FAAH (0.73) FAAH
SCHEMBL2789561 0.79 CCR8 (0.79) FAAHCCR8KCNH2MGLLLMNA
SCHEMBL896993 0.78 FAAH (1.00) FAAH

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