SCHEMBL3229757

SCHEMBL3229757

c1ccc(CCCCCCCc2nnn(-c3ccccc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
DAGLA Q9Y4D2 4/20 0.48
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
FAAH O00519 1/20 0.42
CES1 P23141 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
TP53 P04637 1/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL18320656 0.88 HPGD (0.54) HPGDDAGLAADORA2AADORA1ABCG2
SCHEMBL4409336 0.86 HPGD (0.49) HPGDABCG2
SCHEMBL4414660 0.84 HPGD (0.50) HPGDDAGLAABCG2
SCHEMBL4412019 0.82 HPGD (0.51) HPGDDAGLAABCG2MAOA
SCHEMBL3226588 0.80 DAGLA (0.42) DAGLAFAAHCES1
SCHEMBL4409289 0.80 HPGD (0.55) HPGDDAGLAADORA2AADORA2BADORA1
SCHEMBL4409279 0.78 HPGD (0.54) HPGDDAGLAABCG2
SCHEMBL2162217 0.77 FAAH (0.41) HPGDFAAHCES1TP53
SCHEMBL2162009 0.76 CES1 (0.72) DAGLAADORA2AFAAHCES1
SCHEMBL512253 0.75 HPGD (0.63) HPGDABCG2

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-2010005572-A2 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 WO disclosed