Terbutaline

Terbutaline

SCHEMBL9718449

CC(C)(C)NCC(O)c1cc(O)cc(O)c1.NC(Cc1ccc(Oc2ccc(O)cc2I)c(I)c1I)C(=O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB2

The experimentally established mechanism targets of Terbutaline. 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 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
CASP7 P55210 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C9 P11712 1/20 0.45
BLM P54132 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR1I2 O75469 1/20 0.41
PPARG P37231 1/20 0.41
AGTR2 P50052 1/20 0.41
PCNA P12004 1/20 0.36
KYNU Q16719 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL5574192 0.83 KMT2A (0.52) KMT2ALMNACASP7HIF1ACYP3A4
SCHEMBL282065 0.83 KMT2A (0.52) KMT2ALMNACASP7HIF1ACYP3A4
SCHEMBL230513 0.83 KMT2A (0.52) KMT2ALMNACASP7HIF1ACYP3A4
SCHEMBL6350388 0.82 KMT2A (0.51) KMT2ALMNACASP7HIF1ACYP3A4
SCHEMBL16390915 0.77 KMT2A (0.47) KMT2ALMNACYP3A4TSHRCYP2C9
SCHEMBL10495232 0.76 BLM (0.41) KMT2ALMNACYP3A4TSHRBLM
SCHEMBL10537170 0.76 BLM (0.41) KMT2ALMNACYP3A4TSHRBLM
Hydrochloric Acid SCHEMBL10529768 0.75 BLM (0.41) KMT2ALMNACYP3A4TSHRBLM
SCHEMBL10527044 0.73 KMT2A (0.49) KMT2ALMNACYP3A4TSHRCYP2C9
Terbutaline SCHEMBL27361880 0.71 ADRB2 (0.79) KMT2ALMNAADRB2CASP7HIF1A

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
EP-0357725-B1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF LUNG OBSTRUCTIONS SMITH, Ulf Per Gustav (SE) 1992-04-15 EP disclosed