SCHEMBL8665957

SCHEMBL8665957

CC(C)NCC(O)COc1ccc(OCCOCCI)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.64
▸ PTGS1 P23219 1/20 0.63
▸ SLC6A2 P23975 1/20 0.63
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ ADRB2 P07550 5/20 0.61
▸ ADRB1 P08588 5/20 0.61
▸ CYP2D6 P10635 3/20 0.61
▸ ADRB3 P13945 2/20 0.61
▸ NR3C1 P04150 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ CYP2J2 P51589 1/20 0.59
▸ PDE4D Q08499 1/20 0.59

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
SCHEMBL9452451 0.85 MAPT (0.66) MAPTPTGS1SLC6A2MEN1KMT2A
SCHEMBL11667770 0.83 ADRB2 (0.88) MAPTPTGS1SLC6A2ADRB2ADRB1
SCHEMBL10792807 0.82 ADRB1 (0.67) MEN1KMT2AADRB2ADRB1CYP2D6
SCHEMBL7266770 0.82 PTGS1 (0.68) MAPTPTGS1SLC6A2MEN1KMT2A
SCHEMBL29358069 0.82 ADRB2 (0.76) MAPTPTGS1SLC6A2MEN1KMT2A
SCHEMBL11576265 0.82 PTGS1 (0.68) MAPTPTGS1SLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL10790452 0.81 ADRB1 (0.66) MAPTMEN1KMT2AADRB2ADRB1
SCHEMBL10789731 0.81 ADRB1 (0.70) MEN1KMT2AADRB2ADRB1CYP2D6
SCHEMBL10791057 0.81 ADRB1 (0.73) MEN1KMT2AADRB2ADRB1CYP2D6
SCHEMBL11096422 0.81 PTGS1 (0.67) MAPTPTGS1SLC6A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767778-B1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL beta ADRENERGIC RECEPTOR MARKERS AND AS beta-BLOCKING AGENTS CIS BIO INT (FR) 1998-12-16 — — EP claimed
EP-0767778-A1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL $g(b) ADRENERGIC RECEPTOR MARKERS AND AS $g(b)-BLOCKING AGENTS CIS BIO INTERNATIONAL (FR) 1997-04-16 — — EP claimed
WO-1996000717-A1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL β ADRENERGIC RECEPTOR MARKERS AND AS β-BLOCKING AGENTS CIS BIO INTERNATIONAL (FR) 1996-01-11 — — WO claimed
WO-1999031072-A1 CYCLOHEXYLAMINE ARTHROPODICIDES AND FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-24 — — WO disclosed
EP-0767778-B1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL beta ADRENERGIC RECEPTOR MARKERS AND AS beta-BLOCKING AGENTS CIS BIO INT (FR) 1998-12-16 — — EP disclosed
EP-0767778-A1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL $g(b) ADRENERGIC RECEPTOR MARKERS AND AS $g(b)-BLOCKING AGENTS CIS BIO INTERNATIONAL (FR) 1997-04-16 — — EP disclosed
WO-1996000717-A1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL β ADRENERGIC RECEPTOR MARKERS AND AS β-BLOCKING AGENTS CIS BIO INTERNATIONAL (FR) 1996-01-11 — — WO disclosed
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