SCHEMBL8836623

SCHEMBL8836623

Cc1cn(NCCC(N)=O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
SLC6A2 P23975 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
CNR2 P34972 1/20 0.40
SLC6A4 P31645 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR6 P50406 1/20 0.39
TERT O14746 1/20 0.38
BRCA1 P38398 1/20 0.37
FABP4 P15090 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL8836467 0.91 TERT (0.45) KDM4ESLC6A2MEN1KMT2AHDAC1
SCHEMBL8836020 0.85 SLC6A2 (0.46) KDM4ESLC6A2MEN1KMT2AHDAC1
Hydrochloric Acid SCHEMBL8835778 0.84 SLC6A2 (0.44) KDM4ESLC6A2MEN1KMT2AHDAC1
SCHEMBL3978255 0.79 SLC6A2 (0.50) KDM4ESLC6A2MEN1KMT2AHDAC1
Hydrochloric Acid SCHEMBL8709005 0.77 SLC6A2 (0.49) KDM4ESLC6A2MEN1KMT2AHDAC1
SCHEMBL8836619 0.77 SLC6A2 (0.46) KDM4ESLC6A2MEN1KMT2AHDAC1
SCHEMBL8836015 0.74 SLC6A2 (0.46) KDM4ESLC6A2MEN1KMT2AHDAC1
SCHEMBL8836040 0.73 SLC6A2 (0.51) KDM4ESLC6A2MEN1KMT2AHDAC1
SCHEMBL8836625 0.72 SLC6A2 (0.44) KDM4ESLC6A2MEN1KMT2AHDAC1
Hydrochloric Acid SCHEMBL8835776 0.72 SLC6A2 (0.44) KDM4ESLC6A2MEN1KMT2AHDAC1

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
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