SCHEMBL8836619

SCHEMBL8836619

Cc1cn(NC(=O)CCN)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TERT O14746 1/20 0.39
FABP4 P15090 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL8836015 0.91 SLC6A2 (0.46) SLC6A2MEN1KMT2AHDAC6HDAC1
Hydrochloric Acid SCHEMBL8835776 0.90 SLC6A2 (0.44) SLC6A2MEN1KMT2AHDAC6HDAC1
SCHEMBL8836040 0.82 SLC6A2 (0.51) SLC6A2MEN1KMT2AHDAC6HDAC1
SCHEMBL8836458 0.80 MEN1 (0.41) SLC6A2MEN1KMT2AHDAC6HDAC1
SCHEMBL8835800 0.77 SLC6A2 (0.47) SLC6A2MEN1KMT2AHDAC6HDAC1
SCHEMBL8836623 0.77 KDM4E (0.45) SLC6A2MEN1KMT2AHDAC6HDAC1
SCHEMBL8836020 0.76 SLC6A2 (0.46) SLC6A2MEN1KMT2AHDAC6HDAC1
Hydrochloric Acid SCHEMBL8835778 0.75 SLC6A2 (0.44) SLC6A2MEN1KMT2AHDAC6HDAC1
SCHEMBL8836604 0.74 FABP4 (0.51) SLC6A2MEN1KMT2AHDAC6HDAC1
SCHEMBL8836467 0.73 TERT (0.45) SLC6A2MEN1KMT2AHDAC6HDAC1

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