SCHEMBL14952828

SCHEMBL14952828

CCC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(O)nc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 15/20 0.59
▸ MMEL1 Q495T6 4/20 0.54
▸ ROCK2 O75116 1/20 0.50
▸ RPS6KA5 O75582 1/20 0.50
▸ RPS6KA4 O75676 1/20 0.50
▸ PRKACA P17612 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ GSK3A P49840 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ IRAK1 P51617 1/20 0.50
▸ PRKX P51817 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ PRKG1 Q13976 1/20 0.50
▸ PKN2 Q16513 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ SGK2 Q9HBY8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.45

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
SCHEMBL2870072 0.88 MMEL1 (0.69) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL2870067 0.88 MMEL1 (0.69) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL12317290 0.87 MME (0.66) MMEMMEL1
SCHEMBL12975299 0.86 MMEL1 (0.53) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL14952843 0.82 MMEL1 (0.51) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL17892320 0.79 TPH1 (0.58) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL2875042 0.76 MMEL1 (0.72) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL2875047 0.76 MMEL1 (0.72) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL2875117 0.76 MMEL1 (0.68) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL2869987 0.76 MMEL1 (0.68) MMEMMEL1ROCK2RPS6KA5RPS6KA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435409-B1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2014-08-13 — — EP disclosed
EP-2594556-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 — — EP disclosed
EP-2594557-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 — — EP disclosed
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