SCHEMBL8429028

SCHEMBL8429028

[CH2]CCCNC(=O)OC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.59
GAA P10253 1/20 0.43
NAAA Q02083 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TPSAB1 Q15661 3/20 0.38
TPSD1 Q9BZJ3 3/20 0.38
TPSG1 Q9NRR2 3/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC4 P56524 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
CXCR4 P61073 1/20 0.36
EPHX2 P34913 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
SCHEMBL8430616 0.98 EPHX1 (0.56) EPHX1GAANAAASMN1; SMN2TPSAB1
SCHEMBL27076427 0.89 EPHX1 (0.62) EPHX1GAANAAASMN1; SMN2HDAC1
SCHEMBL8427439 0.89 EPHX1 (0.62) EPHX1GAANAAASMN1; SMN2HDAC1
SCHEMBL8431014 0.87 EPHX1 (0.59) EPHX1GAANAAASMN1; SMN2TPSAB1
SCHEMBL10879403 0.87 EPHX1 (0.65) EPHX1GAANAAATPSAB1TPSD1
SCHEMBL10817282 0.85 EPHX1 (0.71) EPHX1GAANAAASMN1; SMN2HDAC1
SCHEMBL29372143 0.84 EPHX1 (0.61) EPHX1GAANAAASMN1; SMN2TPSAB1
SCHEMBL22224323 0.83 EPHX1 (0.59) EPHX1GAANAAASMN1; SMN2TPSAB1
SCHEMBL22136179 0.83 EPHX1 (0.69) EPHX1GAANAAAEPHX2
SCHEMBL2801495 0.83 EPHX1 (0.69) EPHX1GAANAAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877321-A NEUROKININ RECEPTOR SANOFI (FR) 1999-03-02 US 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-5674881-A NEUROKININ RECEPTOR ANTAGONISTS ELF SANOFI (FR) 1997-10-07 US disclosed
US-5625060-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions on which they are present Sanofi, Elf (FR) 1997-04-29 US disclosed
US-5618938-A Process for preparing stereo isomers of neurokinin receptor antagonists SANOFI (FR) 1997-04-08 US disclosed
US-5606065-A ANTAGONIST OF NEUROKININ RECEIVERS SANOFI (FR) 1997-02-25 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