SCHEMBL4286916

SCHEMBL4286916

O=C(CCCCCc1ccccc1)Cc1nc(-c2ccccn2)co1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES1 P23141 12/20 0.69
FAAH O00519 10/20 0.53
NCEH1 Q6PIU2 2/20 0.53
DAGLA Q9Y4D2 2/20 0.53
FAAH2 Q6GMR7 1/20 0.51

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
SCHEMBL4279402 0.84 CES1 (0.64) CES1FAAHNCEH1DAGLA
SCHEMBL2163000 0.81 CES1 (1.00) CES1FAAHNCEH1DAGLAFAAH2
SCHEMBL12622461 0.81 CES1 (0.60) CES1FAAHNCEH1DAGLAFAAH2
SCHEMBL4286697 0.80 DAGLA (0.49) CES1FAAHNCEH1DAGLA
SCHEMBL10576649 0.73 HPGD (0.54) CES1FAAHNCEH1
SCHEMBL2162361 0.73 CES1 (0.60) CES1FAAH
SCHEMBL5315043 0.70 FAAH (0.51) CES1FAAH
SCHEMBL12655138 0.69 CES1 (0.46) CES1FAAH
SCHEMBL25456057 0.69 MAPT (0.66) CES1FAAH
SCHEMBL10574346 0.69 SMN1; SMN2 (0.55) FAAHDAGLA

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-2009154785-A2 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-23 WO disclosed