SCHEMBL8667597

SCHEMBL8667597

CC(C)N(CC(O)COc1ccc(N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.48
ABCB1 P08183 5/20 0.45
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 4/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CNR1 P21554 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL10770754 0.85 ABCB1 (0.48) ADRB3ABCB1HTTHIF1ATSHR
SCHEMBL6017166 0.85 ABCB1 (0.45) ADRB3ABCB1HTTHIF1ATSHR
SCHEMBL4480987 0.82 TDP1 (0.45) ADRB3TSHRPOLBTDP1KDM4E
SCHEMBL6538543 0.79 BACE1 (0.43) ADRB3ABCB1POLBADRB1
SCHEMBL6540224 0.79 BACE1 (0.43) ADRB3ABCB1POLBADRB1
SCHEMBL7115615 0.77 ADRB3 (0.62) ADRB3ABCB1GAAPOLBMAPT
SCHEMBL7116396 0.76 ADRB3 (0.63) ADRB3ABCB1MAPTNPSR1ADRB2
SCHEMBL7116378 0.76 ADRB3 (0.63) ADRB3MAPTNPSR1ADRB2ADRB1
SCHEMBL7115594 0.75 ADRB3 (0.62) ADRB3MAPTNPSR1ADRB2ADRB1
SCHEMBL7122900 0.75 ADRB3 (0.62) ADRB3MAPTNPSR1TDP1ADRB2

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 3 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 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