SCHEMBL8835680

SCHEMBL8835680

NCC(=O)Nn1cc(Cl)c2ccccc21.NCC(=O)Nn1cc(Cl)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL9433286 1.00 KDM4E (0.36) KDM4EHTTPOLBLMNAALDH1A1
SCHEMBL8836015 0.82 SLC6A2 (0.46) KDM4EHTTHDAC6MAPTKMT2A
SCHEMBL8836337 0.81 KMT2A (0.38) KDM4EPOLBALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8835776 0.81 SLC6A2 (0.44) KDM4EHTTLMNAHDAC6MAPT
SCHEMBL9433290 0.76 KDM4E (0.41) KDM4EPOLBLMNAALDH1A1MAPT
SCHEMBL8836619 0.73 SLC6A2 (0.46) KDM4EHTTALDH1A1HDAC6MAPT
SCHEMBL8835682 0.73 CNR1 (0.37) KDM4EALDH1A1MAPTKMT2A
SCHEMBL8836310 0.72 ALDH1A1 (0.40) KDM4EHTTLMNAALDH1A1HDAC6
Hydrochloric Acid SCHEMBL8836216 0.71 ALDH1A1 (0.39) KDM4EHTTLMNAALDH1A1HDAC6
SCHEMBL2870562 0.70 CA12 (0.44) LMNAHDAC6ALOX15HSD17B10CA1

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