Physostigmine

Physostigmine

SCHEMBL8800695

CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@H]1N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHE

The experimentally established mechanism targets of Physostigmine. 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 14/20 1.00
BCHE P06276 11/20 1.00
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 5/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
CYP2D6 P10635 2/20 1.00
HIF1A Q16665 2/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
KMT2A Q03164 1/20 1.00
LMNA P02545 1/20 1.00
PTGS1 P23219 1/20 1.00
OPRM1 P35372 1/20 1.00
OPRK1 P41145 1/20 1.00
BLM P54132 1/20 1.00
HRH3 Q9Y5N1 1/20 1.00
HSD17B10 Q99714 2/20 0.92
HPGD P15428 2/20 0.79
NPC1 O15118 1/20 0.76
MAPT P10636 1/20 0.76

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
Physostigmine SCHEMBL29482277 1.00 ACHE (1.00) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
(+)-Physostigmine SCHEMBL15677750 1.00 ACHE (1.00) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
Physostigmine SCHEMBL9988368 1.00 ACHE (1.00) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
Physostigmine SCHEMBL4104619 1.00 ACHE (1.00) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
Physostigmine SCHEMBL24044 1.00 ACHE (1.00) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
Physostigmine SCHEMBL24045 1.00 ACHE (1.00) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
Physostigmine SCHEMBL13930339 1.00 ACHE (1.00) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
Physostigmine SCHEMBL7581686 0.99 ACHE (0.98) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
Physostigmine SCHEMBL7581684 0.99 ACHE (0.98) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
Physostigmine SCHEMBL7587896 0.99 ACHE (0.98) ACHEBCHEKDM4EALDH1A1SMN1; SMN2

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
EP-0420140-B1 N-Aminocarbamates related to physostigmine, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1997-08-13 EP disclosed
EP-0484573-B1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-03-13 EP disclosed
EP-0484573-A1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-13 EP disclosed
EP-0420140-A2 N-Aminocarbamates related to physostigmine, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-04-03 EP disclosed