Piperoxan

Piperoxan

SCHEMBL7088293

CO.c1ccc2c(c1)OCC(CN1CCCCC1)O2

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.91
ADRA2B P18089 2/20 0.91
ADRA2C P18825 2/20 0.91
ADRA1D P25100 1/20 0.91
ADRA1A P35348 1/20 0.91
ADRA1B P35368 1/20 0.91
SCN1A P35498 1/20 0.91
SCN2A Q99250 1/20 0.91
SCN3A Q9NY46 1/20 0.91
DRD2 P14416 7/20 0.69
HTR1A P08908 2/20 0.64
SIGMAR1 Q99720 2/20 0.64
ALDH1A1 P00352 1/20 0.56

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
Piperoxan SCHEMBL29404377 0.95 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL31464193 0.95 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL83631 0.95 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL12503311 0.94 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL9869634 0.94 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14454754 0.94 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11854599 0.88 ADRA2A (0.84) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL15864191 0.87 ADRA2A (0.84) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20438314 0.84 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20438315 0.84 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0932609-B1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE WYETH CORP (US) 2003-05-14 EP claimed
WO-1997028157-A1 NOVEL PIPERIDINE DERIVATIVES 4-SUBSTITUTED BY AN IMIDAZOLIDIN-2-ON-1-YL-ETHYL, TETRAHYDROPYRIMIDIN-2-ON-1-YL-ETHYL AND 1,3-DIAZEPIN-2-ON-1-YL-ETHYL GROUP, AND USE THEREOF AS α2-ADRENERGIC RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO claimed