SCHEMBL8836009

SCHEMBL8836009

NCC(=O)Nn1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SRD5A2 P31213 2/20 0.50
ROCK1 Q13464 1/20 0.48
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
ALOX5 P09917 1/20 0.46
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP10 Q53GL7 1/20 0.45
MAPT P10636 1/20 0.44
GSK3B P49841 1/20 0.44
BACE1 P56817 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8836016 0.81 SPHK2 (0.51) HDAC1HDAC6SRD5A2ROCK1PPARD
SCHEMBL8836240 0.80 MTNR1A (0.52) HDAC1HDAC6KDM4EALDH1A1CYP1A2
SCHEMBL8836533 0.80 MTNR1A (0.52) HDAC1HDAC6KDM4EALDH1A1CYP1A2
SCHEMBL8836219 0.79 LTA4H (0.50) LTA4HSRD5A2PPARDPPARANPC1
SCHEMBL7243122 0.78 NTSR1 (0.47) NPC1RAB9AKMT2AALDH1A1
SCHEMBL8836613 0.77 CA1 (0.36) HDAC1HDAC6MEN1KMT2AKDM4E
SCHEMBL8362532 0.77 SRD5A2 (0.55) HDAC1HDAC6SRD5A2ROCK1PPARD
SCHEMBL5483649 0.76 SRD5A2 (0.57) HDAC1HDAC6SRD5A2ROCK1PPARD
SCHEMBL2870562 0.75 CA12 (0.44) HDAC1HDAC6RAB9AKMT2ACYP1A2
SCHEMBL3979896 0.74 ROCK1 (0.58) HDAC1HDAC6SRD5A2ROCK1PPARD

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