SCHEMBL6863656

SCHEMBL6863656

CCC[CH]C(=O)NCCCC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
EPHX1 P07099 5/20 0.48
ACHE P22303 8/20 0.45
MMP2 P08253 1/20 0.45
CNR1 P21554 1/20 0.43
EPHX2 P34913 1/20 0.42
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL28179342 0.92 ZDHHC20 (0.63) ZDHHC20ZDHHC2EPHX1EPHX2
SCHEMBL6866414 0.86 MMP1 (0.41) ZDHHC20ZDHHC2EPHX1MMP2CNR1
SCHEMBL9505930 0.86 SLC6A5 (0.44) ZDHHC20ZDHHC2EPHX1MAPT
SCHEMBL6864828 0.84 ZDHHC20 (0.53) ZDHHC20ZDHHC2EPHX1ACHEMMP2
SCHEMBL9508487 0.84 PAOX (0.50) ZDHHC20ZDHHC2EPHX1MAPT
SCHEMBL6445314 0.83 CNR1 (0.41) ZDHHC20ZDHHC2CNR1MAPT
SCHEMBL497830 0.83 ZDHHC20 (0.47) ZDHHC20ZDHHC2EPHX1MMP2CNR1
SCHEMBL1395670 0.79 ZDHHC20 (0.57) ZDHHC20ZDHHC2EPHX1ACHEMMP2
SCHEMBL4870992 0.79 ZDHHC20 (0.57) ZDHHC20ZDHHC2EPHX1ACHEMMP2
SCHEMBL1395631 0.79 ZDHHC20 (0.57) ZDHHC20ZDHHC2EPHX1ACHEMMP2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797699-B1 EXEMPLIFIED BY N'-L-ARGINYLSPERMIDINE UNIVERSITY OF SOUTHAMPTON (GB) 2004-09-28 US disclosed
EP-1040096-B1 NEUROPROTECTIVE AGENTS UNIV SOUTHAMPTON (GB) 2003-07-09 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5877321-A NEUROKININ RECEPTOR SANOFI (FR) 1999-03-02 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
US-5773620-A Quaternary ammonium salts of aromatic amine compounds, their preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-30 US disclosed
US-5770735-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-23 US disclosed
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed
US-5686609-A Aromatic amine compounds, Their method of preparation and pharmaceutical compositions in which they are present SANOFI (FR) 1997-11-11 US disclosed
US-5679693-A TREATMENT OF PATHOLOGICAL CONDITIONS INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1997-10-21 US disclosed
US-5350852-A Neurokinin A receptor antagonist SANOFI (FR) 1994-09-27 US disclosed
US-5340822-A Substance P, neurokinin antagonists ELF SANOFI (FR) 1994-08-23 US disclosed
US-5317020-A Neurokinin receiver antagonist as antiinflammatory agents SANOFI (FR) 1994-05-31 US disclosed
US-5300648-A Analgesics, antiinflammatory agents SOCIETE ANONYME: ELF SANOFI (FR) 1994-04-05 US disclosed
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
US-5236921-A Administrering for treatment of neutrogenic inflammation of the respiratory trart SANOFI (FR) 1993-08-17 US disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed