SCHEMBL7935378

SCHEMBL7935378

CCCONc1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.60
BCHE P06276 9/20 0.60
APP P05067 2/20 0.57
BACE1 P56817 2/20 0.57
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRB1 P18505 1/20 0.57
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
GABRA4 P48169 1/20 0.57
GABRE P78334 1/20 0.57
GABRA6 Q16445 1/20 0.57
GABRG1 Q8N1C3 1/20 0.57
GABRG3 Q99928 1/20 0.57
GABRQ Q9UN88 1/20 0.57

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
SCHEMBL8018033 0.93 BCHE (0.58) ACHEBCHEAPPBACE1GABRP
SCHEMBL7944938 0.86 HRH3 (0.67) ACHEBCHE
SCHEMBL7944432 0.86 BCHE (0.65) ACHEBCHEAPPBACE1GABRP
SCHEMBL8014300 0.84 HRH3 (0.69) ACHEBCHE
SCHEMBL7944443 0.84 BCHE (0.57) ACHEBCHEAPPBACE1GABRP
SCHEMBL7935359 0.83 BCHE (0.61) ACHEBCHEAPPBACE1GABRP
SCHEMBL7941639 0.82 ACHE (0.61) ACHEBCHEAPPBACE1GABRP
SCHEMBL7946303 0.82 BCHE (0.55) ACHEBCHEAPPBACE1GABRP
SCHEMBL8020560 0.82 BCHE (0.60) ACHEBCHEAPPBACE1GABRP
SCHEMBL7944955 0.81 BCHE (0.61) ACHEBCHEAPPBACE1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US claimed
US-6248750-B1 CHOLINERGIC FUNCTION AGONISTS FOR MEMORY ENHANCEMENT HOECHST ROUSSEL PHARMACEUTICALS 2001-06-19 US disclosed
US-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US disclosed