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Piperoxan

Piperoxan

SCHEMBL9446249

CS(=O)(=O)OCC1COc2ccccc2O1.c1ccc2c(c1)OCC(CN1CCCCC1)O2

nearest known ligand 0.70

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.70
▸ ADRA2B P18089 2/20 0.70
▸ ADRA2C P18825 2/20 0.70
▸ ADRA1D P25100 1/20 0.70
▸ ADRA1A P35348 1/20 0.70
▸ ADRA1B P35368 1/20 0.70
▸ SCN1A P35498 1/20 0.70
▸ SCN2A Q99250 1/20 0.70
▸ SCN3A Q9NY46 1/20 0.70
▸ DRD2 P14416 7/20 0.53
▸ HTR1A P08908 2/20 0.52
▸ SIGMAR1 Q99720 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL1545420 0.87 CA2 (0.55) —
SCHEMBL2544576 0.87 CA2 (0.55) —
SCHEMBL7982000 0.87 CA2 (0.55) —
Piperoxan SCHEMBL31464193 0.84 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL83631 0.84 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL29404377 0.84 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9446251 0.83 CA2 (0.51) —
Piperoxan SCHEMBL7088293 0.83 ADRA2A (0.91) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL9869634 0.83 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL12503311 0.83 ADRA2A (0.97) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229399-A Analgesics ADIR ET COMPAGNIE (FR) 1993-07-20 — — US disclosed