SCHEMBL4318899

SCHEMBL4318899

O=C(O)Nc1ccccc1N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 6/20 0.68
NPSR1 Q6W5P4 6/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
GAA P10253 4/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
PKM P14618 1/20 0.68
POLB P06746 1/20 0.66
ATM Q13315 2/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.61
ALOX15 P16050 1/20 0.60
USP2 O75604 1/20 0.60
GLA P06280 1/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
KCNQ3 O43525 1/20 0.59
CYP1A2 P05177 1/20 0.59

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
Nitrobenzene SCHEMBL28169097 0.87 GAA (0.67) KCNQ2NPSR1L3MBTL1GAAKMT2A
SCHEMBL1439619 0.86 GAA (0.63) KCNQ2NPSR1L3MBTL1GAAKMT2A
SCHEMBL4326786 0.85 ALDH1A1 (0.70) KCNQ2L3MBTL1KMT2APKMPOLB
SCHEMBL10144751 0.84 L3MBTL1 (0.66) KCNQ2NPSR1L3MBTL1GAAKMT2A
Hydrochloric Acid SCHEMBL2023240 0.83 POLB (0.76) NPSR1GAAKMT2AMAPTPOLB
SCHEMBL29955086 0.83 KCNQ2 (0.74) KCNQ2NPSR1L3MBTL1GAAKMT2A
SCHEMBL20862436 0.83 GAA (0.69) KCNQ2NPSR1L3MBTL1GAAKMT2A
SCHEMBL1643994 0.83 NPSR1 (0.68) KCNQ2NPSR1L3MBTL1GAAKMT2A
SCHEMBL29957640 0.82 KMT2A (0.72) KCNQ2NPSR1L3MBTL1GAAKMT2A
SCHEMBL13167010 0.81 KCNQ2 (1.00) KCNQ2NPSR1GAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed
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
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
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