SCHEMBL5340990

SCHEMBL5340990

N#CCCCC(C#N)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.46
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 4/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
CTSK P43235 3/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR7 P34969 2/20 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
SCHEMBL5258116 0.86 SSTR3 (0.49) SSTR3CHRNB2CHRNA7CHRNA4
SCHEMBL5257922 0.82 SSTR3 (0.47) SSTR3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6840775 0.82 SSTR3 (0.47) SSTR3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5254842 0.82 SSTR3 (0.47) SSTR3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5255112 0.81 SSTR3 (0.52) SSTR3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5340986 0.80 SSTR3 (0.46) SSTR3ALDH1A1MEN1KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL5254532 0.77 SSTR3 (0.42) SSTR3ALDH1A1MEN1KMT2AGAA
SCHEMBL14565670 0.76 SSTR3 (0.51) SSTR3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5255157 0.76 SSTR3 (0.58) SSTR3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5256700 0.76 SSTR3 (0.58) SSTR3ALDH1A1MEN1KMT2AL3MBTL1

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-1453801-B1 SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP claimed