SCHEMBL6613618

SCHEMBL6613618

CCN(c1ccc(NC(=O)OC2CC(=O)N(CCc3ccccc3)C2)cc1)c1nc(C)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 3/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ATM Q13315 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL6614116 0.92 ALDH1A1 (0.51) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL6612851 0.90 SMN1; SMN2 (0.42) GFERLMNAALDH1A1HTTL3MBTL1
SCHEMBL6613161 0.88 RXFP3 (0.37) GFERLMNAALDH1A1HTTL3MBTL1
SCHEMBL6624165 0.86 ALDH1A1 (0.40) GFERLMNAALDH1A1HTTL3MBTL1
SCHEMBL5842770 0.86 ALDH1A1 (0.59) GFERLMNAALDH1A1HTTL3MBTL1
SCHEMBL6609711 0.86 ALDH1A1 (0.39) GFERLMNAALDH1A1HTTL3MBTL1
SCHEMBL6611922 0.85 ALDH1A1 (0.48) GFERLMNAALDH1A1HTTL3MBTL1
SCHEMBL6665519 0.83 ALDH1A1 (0.39) GFERLMNAALDH1A1HTTL3MBTL1
SCHEMBL6614115 0.82 ALDH1A1 (0.49) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL6611399 0.80 ALDH1A1 (0.41) GFERLMNAALDH1A1L3MBTL1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed