SCHEMBL7055563

SCHEMBL7055563

CCCN(CCC)C(=O)c1cc(C(N)=O)cc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.56
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MLYCD O95822 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL6139869 0.88 TP53 (0.51) DHODHHPGDGAAALDH1A1MAPT
SCHEMBL3352714 0.86 MLYCD (0.49) HPGDALDH1A1TP53LMNACTSD
SCHEMBL6894849 0.86 MLYCD (0.49) HPGDALDH1A1TP53LMNACTSD
Hydrochloric Acid SCHEMBL5377286 0.83 TLR8 (0.53) TLR8TLR7
SCHEMBL5130313 0.83 MLYCD (0.44) DHODHHPGDTP53SMN1; SMN2CTSD
SCHEMBL12497385 0.82 HPGD (0.57) HPGDGAAALDH1A1MAPTTP53
SCHEMBL3355469 0.82 TP53 (0.41) HPGDTP53CTSDBACE1GABRA1
SCHEMBL6889939 0.81 CHEK2 (0.44) HPGDALDH1A1MAPTTP53CTSD
SCHEMBL6139506 0.80 MLYCD (0.44) HPGDTP53LMNASMN1; SMN2CTSD
SCHEMBL2206850 0.80 TP53 (0.51) HPGDALDH1A1TP53BACE1GABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed