SCHEMBL5720077

SCHEMBL5720077

CCOC(=O)CCCCCOc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.61
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ TOP2A P11388 1/20 0.42

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
SCHEMBL10810536 1.00 FAAH (0.61) FAAHMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL11059455 1.00 FAAH (0.61) FAAHMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL11052412 1.00 FAAH (0.61) FAAHMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL5720369 0.99 FAAH (0.62) FAAHMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL11055671 0.96 FAAH (0.63) FAAHMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL11056914 0.92 FAAH (0.59) FAAHMEN1KMT2APOLBNPSR1
SCHEMBL10814092 0.92 FAAH (0.52) FAAHMEN1KMT2AGAAALDH1A1
SCHEMBL10814504 0.89 FAAH (0.56) FAAHMEN1KMT2AGAAALDH1A1
SCHEMBL11058331 0.89 FAAH (0.56) FAAHMEN1KMT2AGAAALDH1A1
SCHEMBL10818300 0.89 FAAH (0.56) FAAHMEN1KMT2AGAAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841910-A4 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2006-09-13 — — EP disclosed
EP-0841910-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 — — EP disclosed
WO-1997004765-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 — — WO disclosed
US-4460598-A Triphenylimidazolyloxyalkanoic acids and their derivatives and a process for the treatment of thromboembolic, inflammatory and/or atheriosclerotic diseases A. NATTERMANN & CIE GMBH (DE) 1984-07-17 — — US disclosed
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