SCHEMBL8473136

SCHEMBL8473136

[CH2]C(=O)Nc1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
GAA P10253 1/20 0.69
MAPT P10636 1/20 0.67
ACHE P22303 5/20 0.63
BCHE P06276 4/20 0.63
KDM4E B2RXH2 1/20 0.60
HDAC6 Q9UBN7 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59

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
SCHEMBL9208663 0.90 HTT (0.74) HTTGAAMAPTACHEBCHE
SCHEMBL8472225 0.87 HTT (0.71) HTTGAAMAPTACHEBCHE
SCHEMBL8476129 0.86 HTT (0.73) HTTGAAMAPTACHEBCHE
SCHEMBL8474173 0.85 BCHE (0.66) HTTGAAMAPTACHEBCHE
SCHEMBL9382159 0.84 KDM4E (0.65) HTTGAAMAPTACHEBCHE
SCHEMBL9748781 0.84 KDM4E (0.68) HTTGAAMAPTACHEBCHE
SCHEMBL9387187 0.83 KDM4E (0.69) HTTGAAMAPTACHEBCHE
SCHEMBL7945036 0.82 BCHE (0.65) ACHEBCHE
SCHEMBL10061487 0.82 HTT (0.67) HTTGAAMAPTACHEBCHE
SCHEMBL9384234 0.82 KDM4E (0.72) HTTGAAMAPTACHEBCHE

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-5861411-A TREATING DISTURBANCES OF MEMORY SUCH AS SENILE DEMENTIA AND ALZHEIMER'S DISEASE MITSUBISHI CHEMICAL CORPORATION (JP) 1999-01-19 US disclosed