SCHEMBL9735804

SCHEMBL9735804

c1ccc(OCCCNc2c3c(nc4ccccc24)CSCC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
BCHE P06276 6/20 0.54
ACHE P22303 6/20 0.54
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54
APP P05067 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
GABRB2 P47870 1/20 0.54
GABRA4 P48169 1/20 0.54
BACE1 P56817 1/20 0.54
GABRE P78334 1/20 0.54
GABRA6 Q16445 1/20 0.54
GABRG1 Q8N1C3 1/20 0.54
GABRG3 Q99928 1/20 0.54

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
SCHEMBL9165786 0.74 KMT2A (0.64) HRH3ACHE
SCHEMBL9874141 0.73 BCHE (0.54) BCHEACHEGABRPGABRDAPP
SCHEMBL9875958 0.72
SCHEMBL24000133 0.72 BCHE (0.97) BCHEACHEGABRPGABRDAPP
SCHEMBL13480729 0.72 BCHE (0.92) BCHEACHEGABRPGABRDAPP
SCHEMBL15168191 0.71 ACHE (1.00) BCHEACHEGABRPGABRDAPP
SCHEMBL12059555 0.71 ACHE (1.00) BCHEACHEGABRPGABRDAPP
SCHEMBL24164216 0.71 ACHE (1.00) BCHEACHEGABRPGABRDAPP
SCHEMBL29486236 0.71 ACHE (1.00) BCHEACHEGABRPGABRDAPP
Hydrochloric Acid SCHEMBL29711388 0.70 BCHE (1.00) BCHEACHEGABRPGABRDAPP

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