SCHEMBL7239131

SCHEMBL7239131

CCOC(=O)c1cccnc1N1CCCN(Cc2ccc(N(C)C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
OPRK1 P41145 1/20 0.48
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD11B1 P28845 1/20 0.43
PRMT1 Q99873 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHIA Q9BZP6 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL7233655 0.88 L3MBTL1 (0.51) OPRK1MAPTHSD11B1POLBL3MBTL1
SCHEMBL7234263 0.87 KMT2A (0.49) KDM4EALDH1A1HSD11B1CHIAHTT
SCHEMBL2456713 0.85 PRMT1 (0.53) KDM4EOPRK1ALDH1A1HSD11B1PRMT1
SCHEMBL7235295 0.83 MAPT (0.53) KDM4EOPRK1MAPTALDH1A1HSD11B1
SCHEMBL7242145 0.82 ALDH1A1 (0.50) OPRK1ALDH1A1HSD11B1
SCHEMBL7242879 0.77 CAPN1 (0.47) MAPTHSD11B1CHIA
SCHEMBL7235461 0.76 CAPN1 (0.47) HSD11B1CHIA
SCHEMBL2221551 0.75 MAPT (0.66) KDM4EMAPTALDH1A1HSD11B1POLB
SCHEMBL7242881 0.75 ALDH1A1 (0.58) KDM4EOPRK1MAPTALDH1A1HSD11B1
SCHEMBL7238619 0.75 L3MBTL1 (0.54) L3MBTL1

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-6562827-B1 For the treatment of diseases in which increased calpain activity occurs such as neurodegenerative diseases or neuronal damage are caused by ischemia, trauma or mass hemorrhages ABBOTT LABORATORIES 2003-05-13 US disclosed