SCHEMBL8004829

SCHEMBL8004829

Clc1ccc(CONc2c3c(nc4ccccc24)CCCC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.58
ACHE P22303 8/20 0.57
BCHE P06276 7/20 0.57
BACE1 P56817 2/20 0.55
GABRP O00591 1/20 0.54
GABRD O14764 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
GABRE P78334 1/20 0.54
GABRA6 Q16445 1/20 0.54
GABRG1 Q8N1C3 1/20 0.54
GABRG3 Q99928 1/20 0.54
GABRQ Q9UN88 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
SCHEMBL7935359 0.93 BCHE (0.61) APPACHEBCHEBACE1GABRP
SCHEMBL8020560 0.91 BCHE (0.60) APPACHEBCHEBACE1GABRP
SCHEMBL7944948 0.90 KMT2A (0.64) ACHEBCHEBACE1
SCHEMBL8020561 0.88 LMNA (0.61) APPACHEBCHEBACE1GABRP
SCHEMBL7944432 0.81 BCHE (0.65) APPACHEBCHEBACE1GABRP
SCHEMBL8013008 0.80 BCHE (0.53) APPACHEBCHEBACE1GABRP
SCHEMBL7935366 0.80 TP53 (0.57) APPACHEBCHEBACE1GABRP
SCHEMBL8017099 0.79 MEN1 (0.67) APPACHEBCHEBACE1GABRP
SCHEMBL7935378 0.79 ACHE (0.60) APPACHEBCHEBACE1GABRP
SCHEMBL8018033 0.77 BCHE (0.58) APPACHEBCHEBACE1GABRP

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-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US claimed