Quilostigmine

Quilostigmine

SCHEMBL8989330

CN1CC[C@@]2(C)c3cc(OC(=O)N4CCc5ccccc5C4)ccc3N(C)C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 1.00
BCHE P06276 11/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.62
KDM4E B2RXH2 4/20 0.62
CYP2D6 P10635 2/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
LMNA P02545 1/20 0.62
PTGS1 P23219 1/20 0.62
OPRM1 P35372 1/20 0.62
OPRK1 P41145 1/20 0.62
BLM P54132 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62

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
Quilostigmine SCHEMBL8989362 1.00 ACHE (1.00) ACHEBCHEALDH1A1SMN1; SMN2NPC1
Quilostigmine SCHEMBL9150209 1.00 ACHE (1.00) ACHEBCHEALDH1A1SMN1; SMN2NPC1
Quilostigmine SCHEMBL8989327 1.00 ACHE (1.00) ACHEBCHEALDH1A1SMN1; SMN2NPC1
Quilostigmine SCHEMBL28872 1.00 ACHE (1.00) ACHEBCHEALDH1A1SMN1; SMN2NPC1
Quilostigmine SCHEMBL29868383 1.00 ACHE (1.00) ACHEBCHEALDH1A1SMN1; SMN2NPC1
SCHEMBL9204860 0.80 ACHE (0.79) ACHEBCHEALDH1A1SMN1; SMN2NPC1
SCHEMBL10109481 0.79 ACHE (0.77) ACHEBCHEALDH1A1SMN1; SMN2NPC1
SCHEMBL9204862 0.79 ACHE (0.77) ACHEBCHEALDH1A1SMN1; SMN2NPC1
SCHEMBL9204867 0.79 ACHE (0.77) ACHEBCHEALDH1A1SMN1; SMN2NPC1
SCHEMBL8199132 0.79 ACHE (0.77) ACHEBCHEALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5498726-A Preparation of physostigmine carbamate derivatives from physostigmine HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-12 US disclosed
US-5455354-A Method of preparation of physostigmine carbamate derivatives from eseretholes HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-10-03 US disclosed
US-5302721-A Method of preparation of physostigmine carbamate derivatives from eseretholes HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-12 US disclosed
EP-0581107-A1 Method of preparation of physostigmine carbamate derivatives from eseretholes HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-02-02 EP disclosed