SCHEMBL15933763

SCHEMBL15933763

NCCC1CCN(Cc2cccc(N)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
PRMT6 Q96LA8 1/20 0.46
CCR3 P51677 1/20 0.46
F10 P00742 2/20 0.46

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
SCHEMBL14048171 0.87 ACHE (0.49) ACHEKDM4EALDH1A1GLAGAA
SCHEMBL15933738 0.84 CXCR4 (0.56) ACHEKDM4EALDH1A1MAPT
SCHEMBL15933901 0.84 MBTD1 (0.60) ACHEKDM4EALDH1A1GLAGAA
SCHEMBL15933900 0.84 MAPT (0.68) ACHEKDM4EALDH1A1GLAGAA
SCHEMBL14048044 0.84 F10 (0.49) ACHEKDM4EALDH1A1GLAGAA
SCHEMBL544141 0.83 CCR3 (0.67) ACHEALDH1A1PRMT6CCR3
Hydrochloric Acid SCHEMBL6092095 0.81 CCR3 (0.65) ACHEALDH1A1PRMT6CCR3
SCHEMBL14220887 0.81 CHRM2 (0.51) ACHEKDM4EALDH1A1GLAGAA
SCHEMBL8825661 0.81 SIGMAR1 (0.62) ACHEKDM4EALDH1A1MAPT
SCHEMBL15933762 0.81 CCR3 (0.45) KDM4EALDH1A1GLAGAAMAPT

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
WO-2014117669-A1 BENZISOSELENAZOLONE-CONTAINING DONEPEZIL ANALOG 中山大学 (CN) 2014-08-07 WO disclosed