SCHEMBL8543205

SCHEMBL8543205

O=C(NN1CCOCC1)Oc1ccc(C2CCCN2CCN2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 11/20 0.53
HRH3 Q9Y5N1 7/20 0.41
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL8545468 0.94 LIPE (0.52) LIPEHRH3KCNH2CYP3A4CYP2C9
SCHEMBL8872401 0.94 LIPE (0.52) LIPEHRH3KCNH2CYP3A4CYP2C9
SCHEMBL8544287 0.84 HRH3 (0.45) LIPEHRH3NPC1USP2ALDH1A1
SCHEMBL8539481 0.84 ACHE (0.42) HRH3ALDH1A1
SCHEMBL8871221 0.79 MEN1 (0.47) HRH3ALDH1A1HPGD
SCHEMBL8871798 0.77 KDM4E (0.45) HRH3KCNH2CYP3A4NPC1ALDH1A1
SCHEMBL8871835 0.76 ALDH1A1 (0.51) HRH3ALDH1A1
SCHEMBL8544368 0.75 ACHE (0.40) ALDH1A1
SCHEMBL8542014 0.74 SMN1; SMN2 (0.50) HRH3ALDH1A1
SCHEMBL8539650 0.73 ACHE (0.46) HRH3CYP2C9EPHX2

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