Tacrine

Tacrine

SCHEMBL5795221

C[S+](C)[O-].Nc1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBCHE

The experimentally established mechanism targets of Tacrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 16/20 0.82
BCHE known ✓ P06276 10/20 0.82
GRIN1 Q05586 5/20 0.82
GRIN2A Q12879 5/20 0.82
TSHR P16473 3/20 0.82
HSD17B10 Q99714 3/20 0.82
ALDH1A1 P00352 2/20 0.82
CYP1A2 P05177 2/20 0.82
CYP2D6 P10635 2/20 0.82
CHRM1 P11229 2/20 0.82
KDM4E B2RXH2 1/20 0.82
CACNB4 O00305 1/20 0.82
CACNA1A O00555 1/20 0.82
SLC22A2 O15244 1/20 0.82
SLC22A1 O15245 1/20 0.82
ABCC4 O15439 1/20 0.82
CACNA1G O43497 1/20 0.82
CACNG3 O60359 1/20 0.82
CACNA1F O60840 1/20 0.82
CACNA1H O95180 1/20 0.82

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
Tacrine SCHEMBL7714835 0.91 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL2828 0.91 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL29594645 0.91 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL29681895 0.91 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL28031239 0.89 ACHE (0.90) ACHEBCHEGRIN1GRIN2ATSHR
SCHEMBL12043403 0.89 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL14236722 0.89 ACHE (0.97) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL3270 0.89 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL8000475 0.89 ACHE (0.97) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL9407893 0.89 CYP1A2 (0.97) ACHEBCHEGRIN1GRIN2ATSHR

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
WO-2006025708-A2 INHIBITOR FOR ACETYLCHOLINESTERASE CONTAINING GAMMA-VINIFERIN OR VISITIN A UNIGEN, INC. (KR) 2006-03-09 WO disclosed