SCHEMBL9737220

SCHEMBL9737220

Nc1c2c(nc3ccccc13)CCCOC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.68
BCHE P06276 5/20 0.68
TSHR P16473 4/20 0.68
HSD17B10 Q99714 3/20 0.68
ALDH1A1 P00352 3/20 0.68
CYP1A2 P05177 3/20 0.68
CYP2D6 P10635 2/20 0.68
KCNH2 Q12809 2/20 0.68
KDM4E B2RXH2 1/20 0.68
CACNB4 O00305 1/20 0.68
CACNA1A O00555 1/20 0.68
SLC22A2 O15244 1/20 0.68
SLC22A1 O15245 1/20 0.68
ABCC4 O15439 1/20 0.68
CACNA1G O43497 1/20 0.68
CACNG3 O60359 1/20 0.68
CACNA1F O60840 1/20 0.68
CACNA1H O95180 1/20 0.68
APP P05067 1/20 0.68
FABP1 P07148 1/20 0.68

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
SCHEMBL9167709 0.91 ACHE (0.62) ACHEBCHETSHRHSD17B10ALDH1A1
SCHEMBL9735659 0.88 ACHE (0.68) ACHEBCHETSHRHSD17B10ALDH1A1
SCHEMBL9735885 0.82 ACHE (0.62) ACHEBCHETSHRHSD17B10ALDH1A1
Fumaric Acid SCHEMBL9170857 0.81 TSHR (0.69) ACHEBCHETSHRHSD17B10ALDH1A1
Fumaric Acid SCHEMBL9170862 0.81 TSHR (0.69) ACHEBCHETSHRHSD17B10ALDH1A1
SCHEMBL30063279 0.81 ACHE (1.00) ACHEBCHETSHRHSD17B10ALDH1A1
Tacrine SCHEMBL29681895 0.81 ACHE (1.00) ACHEBCHETSHRHSD17B10ALDH1A1
Tacrine SCHEMBL29594645 0.81 ACHE (1.00) ACHEBCHETSHRHSD17B10ALDH1A1
Tacrine SCHEMBL2828 0.81 ACHE (1.00) ACHEBCHETSHRHSD17B10ALDH1A1
Tacrine SCHEMBL7714835 0.81 ACHE (1.00) ACHEBCHETSHRHSD17B10ALDH1A1

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-5112830-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 US claimed