SCHEMBL8430974

SCHEMBL8430974

[CH2]CNC(=O)OC1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 1/20 0.41
NAAA Q02083 2/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC4 P56524 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1173093 1.00 EPHX1 (0.67) EPHX1SMN1; SMN2CYP2C19NAAAHDAC1
SCHEMBL8432146 0.98 EPHX1 (0.63) EPHX1SMN1; SMN2CYP2C19NAAAHDAC1
SCHEMBL27076427 0.85 EPHX1 (0.62) EPHX1SMN1; SMN2CYP2C19NAAAHDAC1
SCHEMBL8427439 0.85 EPHX1 (0.62) EPHX1SMN1; SMN2CYP2C19NAAAHDAC1
SCHEMBL10817282 0.83 EPHX1 (0.71) EPHX1SMN1; SMN2CYP2C19NAAAHDAC1
SCHEMBL8431014 0.82 EPHX1 (0.59) EPHX1SMN1; SMN2CYP2C19NAAAHDAC1
SCHEMBL8429028 0.82 EPHX1 (0.59) EPHX1SMN1; SMN2CYP2C19NAAAHDAC1
SCHEMBL967579 0.80 EPHX1 (1.00) EPHX1SMN1; SMN2CYP2C19NAAAHDAC1
SCHEMBL8430616 0.79 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAHDAC1HDAC3
SCHEMBL11146669 0.79 EPHX1 (0.61) EPHX1SMN1; SMN2CYP2C19ALDH1A1KMT2A

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