SCHEMBL8836095

SCHEMBL8836095

CN(CC(N)=O)n1ccc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
NOTUM Q6P988 1/20 0.47
SLC6A2 P23975 7/20 0.44
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
Hydrochloric Acid SCHEMBL8835948 0.98 LMNA (0.48) LMNANOTUMSLC6A2KMT2AHTR2A
SCHEMBL8836092 0.75 SLC6A2 (0.44) LMNANOTUMSLC6A2KMT2AHTR2A
Hydrochloric Acid SCHEMBL8835946 0.74 SLC6A2 (0.43) LMNANOTUMSLC6A2KMT2AHTR2A
SCHEMBL10975857 0.73 NOTUM (0.53) LMNANOTUMSLC6A2KMT2AHTR2A
SCHEMBL4102885 0.73 SLC6A2 (0.49) LMNANOTUMSLC6A2KMT2AHTR2A
SCHEMBL3365470 0.72 SLC6A2 (0.58) NOTUMSLC6A2HTR2AHTR2CCDK4
SCHEMBL6138111 0.71 NOTUM (0.50) LMNANOTUMSLC6A2KMT2AHTR2A
SCHEMBL5281191 0.71 LMNA (0.42) LMNANOTUMSLC6A2KMT2AMAPK1
SCHEMBL27756891 0.70 LMNA (0.43) LMNANOTUMSLC6A2KMT2AMAPK1
SCHEMBL27756742 0.70 LMNA (0.43) LMNANOTUMSLC6A2KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5319096-A Neuroprotective agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-06-07 US claimed
US-5646300-A NEUROPROTECTIVE AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-07-08 US disclosed
US-5591866-A NEUROPROTECTIVE AGENTS HOECHST MARION ROUSSEL INC. (US) 1997-01-07 US disclosed
US-5565579-A NEUROPROTECTIVE AGENT HOECHST MARION ROUSSEL INC. (US) 1996-10-15 US disclosed
EP-0563916-B1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-08-16 EP disclosed
US-5319096-A Neuroprotective agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-06-07 US disclosed
EP-0563916-A1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-10-06 EP disclosed