SCHEMBL5841818

SCHEMBL5841818

CCOC(=O)CCCCNc1ccccc1-c1ccc(NC(=O)C2CC(=O)N(c3cc(C)ccc3C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 2/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL5842493 0.93 MAPT (0.46) MAPTTP53POLBALDH1A1L3MBTL1
SCHEMBL5848032 0.87 MEN1 (0.48) MAPTTP53POLBALDH1A1L3MBTL1
SCHEMBL5842301 0.84 MAPT (0.52) MAPTTP53ALDH1A1L3MBTL1NPSR1
SCHEMBL5843024 0.84 KMT2A (0.46) MAPTPOLBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5841812 0.82 MAPT (0.48) MAPTPOLBALDH1A1L3MBTL1NPSR1
SCHEMBL5842505 0.78 MAPT (0.64) MAPTTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5841226 0.78 MAPT (0.50) MAPTPOLBALDH1A1NPSR1SMN1; SMN2
SCHEMBL5842613 0.77 MAPT (0.56) MAPTPOLBALDH1A1NPSR1SMN1; SMN2
SCHEMBL5843721 0.76 MAPT (0.63) MAPTTP53ALDH1A1L3MBTL1NPSR1
SCHEMBL5842030 0.75 MAPT (0.64) MAPTALDH1A1NPSR1SMN1; SMN2

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
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed