Metaproterenol

Metaproterenol

SCHEMBL9051746

CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1ccc(O)c(O)c1.O=S(=O)(O)O

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB2

The experimentally established mechanism targets of Metaproterenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 6/20 0.74
BLM P54132 5/20 0.79
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
LMNA P02545 4/20 0.79
APEX1 P27695 1/20 0.79
MAPT P10636 6/20 0.74
KDM4E B2RXH2 6/20 0.74
TDP1 Q9NUW8 5/20 0.74
TSHR P16473 5/20 0.74
HIF1A Q16665 5/20 0.74
ADRB1 P08588 4/20 0.74
MAPK1 P28482 4/20 0.74
HSD17B10 Q99714 4/20 0.74
ADRB3 P13945 4/20 0.74
MTOR P42345 3/20 0.74
CYP1A2 P05177 3/20 0.74
CYP3A4 P08684 3/20 0.74
ADRA1A P35348 3/20 0.74
NFKB1 P19838 2/20 0.74

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
Isoproterenol SCHEMBL41841 0.93 MAPT (0.85) BLMMEN1KMT2ALMNAAPEX1
Metaproterenol SCHEMBL3841247 0.93 ADRB2 (0.85) BLMMEN1KMT2ALMNAAPEX1
Isoproterenol SCHEMBL5682034 0.92 MAPT (0.82) BLMMEN1KMT2ALMNAAPEX1
Terbutaline SCHEMBL8761821 0.91 BLM (0.67) BLMMEN1KMT2ALMNAAPEX1
Isoproterenol SCHEMBL7268328 0.90 ADRB2 (0.85) BLMMEN1KMT2ALMNAAPEX1
Isoproterenol SCHEMBL582812 0.89 ADRB2 (0.85) BLMMEN1KMT2ALMNAAPEX1
Metaproterenol SCHEMBL3049439 0.89 MEN1 (1.00) BLMMEN1KMT2ALMNAAPEX1
Metaproterenol SCHEMBL9614523 0.89 MEN1 (1.00) BLMMEN1KMT2ALMNAAPEX1
Metaproterenol SCHEMBL41816 0.89 MEN1 (1.00) BLMMEN1KMT2ALMNAAPEX1
Metaproterenol SCHEMBL41815 0.89 MEN1 (1.00) BLMMEN1KMT2ALMNAAPEX1

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
WO-1996034600-A1 BETA-AGONISTS AS AN AID TO MAINTAIN OR ENHANCE STRENGTH AND ENDURANCE UNIVERSITY OF NEW MEXICO (US) 1996-11-07 WO claimed
WO-1996034600-A1 BETA-AGONISTS AS AN AID TO MAINTAIN OR ENHANCE STRENGTH AND ENDURANCE UNIVERSITY OF NEW MEXICO (US) 1996-11-07 WO disclosed