SCHEMBL10923607

SCHEMBL10923607

CCCN(CC)CCN(C(N)=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ BCHE P06276 3/20 0.51
▸ ALOX5 P09917 3/20 0.51
▸ NOX1 Q9Y5S8 2/20 0.50
▸ PARP10 Q53GL7 1/20 0.48
▸ MAOB P27338 1/20 0.45
▸ EGFR P00533 2/20 0.44
▸ LTB4R Q15722 1/20 0.44
▸ LTB4R2 Q9NPC1 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44

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
Bromide SCHEMBL10559873 0.99 L3MBTL1 (0.53) L3MBTL1BCHEALOX5NOX1PARP10
SCHEMBL10922439 0.93 L3MBTL1 (0.52) L3MBTL1BCHEALOX5NOX1PARP10
Bromide SCHEMBL10558009 0.92 L3MBTL1 (0.51) L3MBTL1BCHEALOX5NOX1PARP10
SCHEMBL10922348 0.91 BCHE (0.55) L3MBTL1BCHEALOX5NOX1PARP10
Bromide SCHEMBL10648631 0.91 L3MBTL1 (0.52) L3MBTL1BCHEALOX5NOX1PARP10
Bromide SCHEMBL10556732 0.90 BCHE (0.54) L3MBTL1BCHEALOX5NOX1PARP10
SCHEMBL9375612 0.85 NOX1 (0.59) L3MBTL1ALOX5NOX1PARP10MAOB
SCHEMBL10919555 0.84 ALOX5 (0.49) L3MBTL1BCHEALOX5NOX1PARP10
SCHEMBL10926432 0.84 TP53 (0.53) —
Bromide SCHEMBL10557453 0.83 ALOX5 (0.48) L3MBTL1BCHEALOX5NOX1PARP10

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
EP-0180994-A2 Antihypertensive dialkyl aminoethylaniline derivatives SYNTEX (U.S.A.) INC. (US) 1986-05-14 — — EP disclosed
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