Metaproterenol

Metaproterenol

SCHEMBL3049439

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 14/20 0.83
MEN1 O00255 2/20 1.00
LMNA P02545 2/20 1.00
BLM P54132 2/20 1.00
KMT2A Q03164 2/20 1.00
APEX1 P27695 1/20 1.00
HIF1A Q16665 3/20 0.83
TSHR P16473 2/20 0.83
ADRA1A P35348 2/20 0.83
KDM4E B2RXH2 1/20 0.65
CASP1 P29466 1/20 0.65
CASP7 P55210 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP2D6 P10635 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ADORA3 P0DMS8 1/20 0.54

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
Metaproterenol SCHEMBL6862596 1.00 MEN1 (1.00) MEN1LMNABLMKMT2AAPEX1
Metaproterenol SCHEMBL41816 1.00 MEN1 (1.00) MEN1LMNABLMKMT2AAPEX1
Metaproterenol SCHEMBL41815 1.00 MEN1 (1.00) MEN1LMNABLMKMT2AAPEX1
Metaproterenol SCHEMBL9614523 1.00 MEN1 (1.00) MEN1LMNABLMKMT2AAPEX1
Metaproterenol SCHEMBL8330430 0.94 BLM (0.88) MEN1LMNABLMKMT2AAPEX1
Metaproterenol SCHEMBL4271 0.91 ADRB2 (1.00) MEN1LMNABLMKMT2AAPEX1
Metaproterenol SCHEMBL4270 0.91 ADRB2 (1.00) MEN1LMNABLMKMT2AAPEX1
Metaproterenol SCHEMBL4451598 0.91 ADRB2 (1.00) MEN1LMNABLMKMT2AAPEX1
Metaproterenol SCHEMBL3694829 0.91 ADRB2 (1.00) MEN1LMNABLMKMT2AAPEX1
Metaproterenol SCHEMBL5682997 0.90 ADRB2 (0.96) MEN1LMNABLMKMT2AAPEX1

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
CN-101896161-A Solid formulations of crystalline compounds PURDUE RESEARCH FOUNDATION 2010-11-24 CN disclosed
US-20100222311-A1 SOLID FORMULATIONS OF CRYSTALLINE COMPOUNDS PURDUE RESEARCH FOUNDATION (US) 2010-09-02 US disclosed