SCHEMBL9547653

SCHEMBL9547653

Nc1c2c(nc3ccccc13)CCC(O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 1.00
BCHE P06276 5/20 0.59
ALDH1A1 P00352 3/20 0.59
TSHR P16473 3/20 0.59
CYP1A2 P05177 3/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP2D6 P10635 2/20 0.59
KCNH2 Q12809 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CACNB4 O00305 1/20 0.59
CACNA1A O00555 1/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
ABCC4 O15439 1/20 0.59
CACNA1G O43497 1/20 0.59
CACNG3 O60359 1/20 0.59
CACNA1F O60840 1/20 0.59
CACNA1H O95180 1/20 0.59
APP P05067 1/20 0.59
FABP1 P07148 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
Hydrochloric Acid SCHEMBL9547702 0.99 ACHE (0.97) ACHEBCHEALDH1A1TSHRCYP1A2
7-Hydroxytacrine SCHEMBL9547668 0.88 ACHE (1.00) ACHEBCHEALDH1A1TSHRCYP1A2
SCHEMBL25847588 0.82 ACHE (0.70) ACHEBCHEALDH1A1TSHRCYP1A2
SCHEMBL7674791 0.79 MAPK1 (0.72) ACHEBCHEALDH1A1TSHRCYP1A2
SCHEMBL9547666 0.77 ACHE (0.62) ACHEBCHEALDH1A1TSHRCYP1A2
SCHEMBL9547699 0.75 ACHE (0.60) ACHEBCHEALDH1A1TSHRCYP1A2
Tacrine SCHEMBL29681895 0.74 ACHE (1.00) ACHEBCHEALDH1A1TSHRCYP1A2
Tacrine SCHEMBL29594645 0.74 ACHE (1.00) ACHEBCHEALDH1A1TSHRCYP1A2
SCHEMBL30063279 0.74 ACHE (1.00) ACHEBCHEALDH1A1TSHRCYP1A2
Tacrine SCHEMBL2828 0.74 ACHE (1.00) ACHEBCHEALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369388-B1 HYDROXY-1,2,3,4-TETRAHYDROAMINOACRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP claimed
EP-0369388-A1 Hydroxy-1,2,3,4-tetrahydroaminoacridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-05-23 EP claimed
EP-0369388-B1 HYDROXY-1,2,3,4-TETRAHYDROAMINOACRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP disclosed
EP-0369388-A1 Hydroxy-1,2,3,4-tetrahydroaminoacridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-05-23 EP disclosed