SCHEMBL5219600

SCHEMBL5219600

O[C@H]([CH]Cc1ccccc1)CNCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
DNM1 Q05193 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.45
BCHE P06276 3/20 0.44
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
MAOA P21397 1/20 0.41
THRB P10828 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL7051118 0.92 OPRD1 (0.47) ANPEPALDH1A1CYP1A2CYP2D6DNM1
SCHEMBL6895986 0.87 MEN1 (0.51) ANPEPALDH1A1DNM1MEN1KMT2A
SCHEMBL7118780 0.86 BCHE (0.61) MEN1KMT2ABCHE
SCHEMBL28751162 0.85 MEN1 (0.54) ALDH1A1CYP1A2MEN1KMT2ALMNA
SCHEMBL7054852 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL7053301 0.82 LMNA (0.47) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL7054663 0.82 DNM1 (0.55) ALDH1A1DNM1MEN1KMT2ABCHE
SCHEMBL10403337 0.81 ANPEP (0.53) ANPEPALDH1A1CYP1A2CYP2D6DNM1
SCHEMBL5391447 0.81 ABCB1 (0.46) ANPEPCYP1A2CYP2D6MEN1KMT2A
SCHEMBL4045031 0.81 KDM1A (0.46) MEN1KMT2ALMNABCHEMAOA

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed