SCHEMBL20224015

SCHEMBL20224015

CC[N+](CC)(CC)CCCC[n+]1ccc(C(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 0.67
BCHE P06276 18/20 0.67
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL30875749 0.81 ACHE (0.91) ACHEBCHE
SCHEMBL14519967 0.81 ACHE (0.95) ACHEBCHE
Water SCHEMBL31247958 0.81 ACHE (0.91) ACHEBCHE
Water SCHEMBL31247981 0.79 ACHE (0.91) ACHEBCHE
Water SCHEMBL31247864 0.79 ACHE (0.91) ACHEBCHE
SCHEMBL18351048 0.79 ACHE (1.00) ACHEBCHE
SCHEMBL16666183 0.78 ACHE (0.81) ACHEBCHECHRM2CHRM1
SCHEMBL20253089 0.77 KCNH2 (0.45) ACHEBCHECHRM2CHRM4CHRM5
Iodide SCHEMBL25270713 0.77 ACHE (0.95) ACHEBCHE
Hydrochloric Acid SCHEMBL16666184 0.77 ACHE (0.78) ACHEBCHECHRM2CHRM1

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-20180156811-A1 AIE LUMINOGENS FOR VISUALIZATION AND TREATMENT OF CANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-06-07 US disclosed