SCHEMBL8883300

SCHEMBL8883300

COc1ccc2c(c1)N(C)C1N(C)CCC21C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.56
BCHE P06276 8/20 0.56
KDM4E B2RXH2 6/20 0.56
CYP2D6 P10635 3/20 0.56
TP53 P04637 2/20 0.56
ALOX15 P16050 2/20 0.56
CYP1A2 P05177 2/20 0.56
HIF1A Q16665 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MTOR P42345 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 1/20 0.56
FTO Q9C0B1 1/20 0.56
ALDH1A1 P00352 1/20 0.54
LMNA P02545 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
SCHEMBL8669894 1.00 ACHE (0.56) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL9028194 1.00 ACHE (0.56) ACHEBCHEKDM4ECYP2D6TP53
Fumaric Acid SCHEMBL9029647 0.89 KDM4E (0.64) ACHEBCHEKDM4ECYP2D6CYP1A2
Fumaric Acid SCHEMBL9029655 0.89 KDM4E (0.64) ACHEBCHEKDM4ECYP2D6CYP1A2
Maleic Acid SCHEMBL8670810 0.89 KDM4E (0.64) ACHEBCHEKDM4ECYP2D6CYP1A2
SCHEMBL5025942 0.89 ACHE (0.69) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL12082976 0.89 ACHE (0.69) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL8321657 0.89 ACHE (0.69) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL30839709 0.89 ACHE (0.69) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL8883139 0.80 ACHE (0.83) ACHEBCHEKDM4ECYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591864-A CHEMICAL INTERMEDIATES FOR COMPOUNDS WHICH ALLEVIATE MEMORY DYSFUNCITONS HOECHST MARION ROUSSEL, INC. (US) 1997-01-07 US 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
US-5260452-A 4- and 6-carbamates related to physostigmine and intermediates for the preparation thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-11-09 US 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
US-5081117-A Treatment of memory dysfunctions such as in Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-14 US disclosed