SCHEMBL8545468

SCHEMBL8545468

O=C(NN1CCCCC1)Oc1ccc(C2CCCN2CCN2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 11/20 0.52
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
HRH3 Q9Y5N1 5/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL8872401 1.00 LIPE (0.52) LIPEOPRM1OPRK1HRH3KCNH2
SCHEMBL8543205 0.94 LIPE (0.53) LIPEHRH3KCNH2CYP3A4CYP2C9
SCHEMBL8539481 0.88 ACHE (0.42) OPRM1OPRK1HRH3KDM4E
SCHEMBL8871221 0.82 MEN1 (0.47) HRH3KDM4E
SCHEMBL8871798 0.80 KDM4E (0.45) HRH3KCNH2CYP3A4KDM4E
SCHEMBL8544287 0.79 HRH3 (0.45) LIPEOPRM1OPRK1HRH3KDM4E
SCHEMBL8871835 0.79 ALDH1A1 (0.51) HRH3
SCHEMBL8544368 0.78 ACHE (0.40) OPRM1OPRK1KDM4E
SCHEMBL8873578 0.73 BCHE (0.47) OPRM1OPRK1MAOBKDM4E
SCHEMBL7550305 0.70 LIPE (1.00) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP disclosed
US-5591856-A CHEMICAL INTERMEDIATES, TREATMENT OF ALZHEIMER'S DISEASE HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1997-01-07 US disclosed
US-5554750-A TO RELIEVE MEMORY DYSFUNCTIONS; TREATMENT OF ALZHEMER*S HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-10 US disclosed
EP-0671388-A1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-09-13 EP disclosed
US-5405845-A Administering to relieve memory dysfunction; treatment of Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-04-11 US disclosed
US-5338739-A Memory dysfunction relieving compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-16 US disclosed