Procaterol

Procaterol

SCHEMBL27971156

CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12.CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl.O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB2

The experimentally established mechanism targets of Procaterol. 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 16/20 0.95
KDM4E B2RXH2 2/20 0.98
GAA P10253 1/20 0.98
SMN1; SMN2 Q16637 1/20 0.98
HIF1A Q16665 1/20 0.98
ADRB1 P08588 11/20 0.95
MEN1 O00255 1/20 0.95
LMNA P02545 1/20 0.95
CYP1A2 P05177 1/20 0.95
CYP2D6 P10635 1/20 0.95
CYP2C9 P11712 1/20 0.95
DRD2 P14416 1/20 0.95
TSHR P16473 1/20 0.95
CYP2C19 P33261 1/20 0.95
PTGS2 P35354 1/20 0.95
KMT2A Q03164 1/20 0.95
SLC6A2 P23975 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49

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
Procaterol SCHEMBL1231478 1.00 KDM4E (0.98) KDM4EGAASMN1; SMN2HIF1AADRB2
Procaterol SCHEMBL29804927 1.00 KDM4E (0.98) KDM4EGAASMN1; SMN2HIF1AADRB2
Procaterol SCHEMBL1231477 1.00 KDM4E (0.98) KDM4EGAASMN1; SMN2HIF1AADRB2
Procaterol SCHEMBL29429700 1.00 KDM4E (0.98) KDM4EGAASMN1; SMN2HIF1AADRB2
Procaterol SCHEMBL29992718 0.99 KDM4E (1.00) KDM4EGAASMN1; SMN2HIF1AADRB2
Procaterol SCHEMBL9737339 0.99 KDM4E (1.00) KDM4EGAASMN1; SMN2HIF1AADRB2
Procaterol SCHEMBL29832201 0.99 KDM4E (1.00) KDM4EGAASMN1; SMN2HIF1AADRB2
Procaterol SCHEMBL124726 0.99 KDM4E (1.00) KDM4EGAASMN1; SMN2HIF1AADRB2
Procaterol SCHEMBL3244629 0.99 ADRB2 (0.98) KDM4EGAASMN1; SMN2HIF1AADRB2
Procaterol SCHEMBL4633 0.98 ADRB2 (1.00) KDM4EGAASMN1; SMN2HIF1AADRB2

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
CN-102573913-B Biodegradable polyethylene glycol-based water-insoluble hydrogels ASCENDIS PHARMA AS 2014-06-18 CN disclosed