SCHEMBL9547699

SCHEMBL9547699

Nc1c2c(nc3ccccc13)CCC(OCc1ccccc1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.60
BCHE P06276 5/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CACNB4 O00305 1/20 0.50
CACNA1A O00555 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
ABCC4 O15439 1/20 0.50
CACNA1G O43497 1/20 0.50
CACNG3 O60359 1/20 0.50
CACNA1F O60840 1/20 0.50
CACNA1H O95180 1/20 0.50
APP P05067 1/20 0.50
FABP1 P07148 1/20 0.50
CHRM2 P08172 1/20 0.50

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
SCHEMBL9547736 0.89 ACHE (0.50) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9547713 0.81 ACHE (0.55) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL8634850 0.80
SCHEMBL9547666 0.77 ACHE (0.62) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL9547682 0.77 ACHE (0.58) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL9547686 0.76 ACHE (0.57) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL19643085 0.75 DPP4 (0.39) CHRM2CHRM1SLC6A2CYP2C19OPRM1
SCHEMBL25847588 0.75 ACHE (0.70) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL9547653 0.75 ACHE (1.00) ACHEBCHEALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL9547702 0.74 ACHE (0.97) ACHEBCHEALDH1A1TSHRHSD17B10

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-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