SCHEMBL6313952

SCHEMBL6313952

CCC(CCN)NCc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
CHRM2 P08172 5/20 0.49
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6404056 0.89 CHRM2 (0.58) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL4538523 0.89 CHRM2 (0.58) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL20988035 0.88 ATM (0.63) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL9092986 0.78 L3MBTL1 (0.64) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL8931140 0.75 ATM (0.59) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL27002023 0.74 ALDH1A1 (0.49) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL27002169 0.74 ALDH1A1 (0.49) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL9965797 0.74 ATM (0.67) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL4901405 0.73 L3MBTL1 (0.61) L3MBTL1ATMALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL841799 0.73 ATM (0.65) L3MBTL1ATMALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497257-A1 2,5-BIS-DIAMINE-[1,4] BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE, A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR Alma Mater Studiorum -Universita' di Bologna (IT) 2005-01-19 EP disclosed
WO-2003087035-A1 2,5-BIS-DIAMINE-'1,4! BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2003-10-23 WO disclosed