SCHEMBL14952843

SCHEMBL14952843

CCC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnc(O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 5/20 0.51
▸ MME P08473 15/20 0.50
▸ ROCK2 O75116 1/20 0.44
▸ RPS6KA5 O75582 1/20 0.44
▸ RPS6KA4 O75676 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ IRAK1 P51617 1/20 0.44
▸ PRKX P51817 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ PRKG1 Q13976 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ SGK2 Q9HBY8 1/20 0.44
▸ KLKB1 P03952 1/20 0.43
▸ KLK1 P06870 1/20 0.43

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
SCHEMBL2875462 0.89 MMEL1 (0.64) MMEL1MME
SCHEMBL2875456 0.89 MMEL1 (0.64) MMEL1MME
SCHEMBL12974968 0.87 MMEL1 (0.50) MMEL1MMEKLKB1KLK1
SCHEMBL14952828 0.82 MME (0.59) MMEL1MMEROCK2RPS6KA5RPS6KA4
SCHEMBL17998322 0.76 CTSA (0.58) —
SCHEMBL16855111 0.75 MME (0.63) MMEL1MME
SCHEMBL12317325 0.73 MME (0.61) MMEL1MME
SCHEMBL18672739 0.73 MME (0.61) MMEL1MME
SCHEMBL17667998 0.73 MME (0.61) MMEL1MME
SCHEMBL2875042 0.73 MMEL1 (0.72) MMEL1MMEROCK2RPS6KA5RPS6KA4

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 2 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-2594557-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 — — EP disclosed
Send feedback