Bitolterol

Bitolterol

SCHEMBL5886027

CC(C)(C)NCC(O)c1ccc(O)c(NC(N)=O)c1.Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB2

The experimentally established mechanism targets of Bitolterol. 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 5/20 0.43
ADRB3 P13945 6/20 0.44
HIF1A Q16665 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
ADRB1 P08588 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PMP22 Q01453 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Bitolterol SCHEMBL30777231 0.87 LMNA (0.54) HIF1AALDH1A1LMNACYP3A4ADRB2
Bitolterol SCHEMBL30929319 0.87 LMNA (0.54) HIF1AALDH1A1LMNACYP3A4ADRB2
Bitolterol SCHEMBL29385409 0.87 LMNA (0.54) HIF1AALDH1A1LMNACYP3A4ADRB2
Bitolterol SCHEMBL28134 0.87 LMNA (0.54) HIF1AALDH1A1LMNACYP3A4ADRB2
Bitolterol SCHEMBL28133 0.87 LMNA (0.54) HIF1AALDH1A1LMNACYP3A4ADRB2
Bitolterol SCHEMBL11286987 0.86 ADRB2 (0.55) HIF1AALDH1A1LMNACYP3A4ADRB2
Carbuterol SCHEMBL37370 0.84 ADRB2 (0.58) ADRB3HIF1ALMNACYP3A4ADRB2
Carbuterol SCHEMBL29393729 0.84 ADRB2 (0.58) ADRB3HIF1ALMNACYP3A4ADRB2
Bitolterol SCHEMBL4372 0.83 LMNA (0.50) ADRB3HIF1AALDH1A1LMNACYP3A4
Bitolterol SCHEMBL4371 0.83 LMNA (0.50) ADRB3HIF1AALDH1A1LMNACYP3A4

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-3152328-A2 METHODS OF DIAGNOSING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) USING NOVEL MOLECULAR BIOMARKERS TRANSGENION-INTERNATIONAL INSTITUTE FOR REGENERATIVE TRANSLATIONAL MEDICINE GMBH (AT) 2017-04-12 EP claimed
WO-2015185653-A2 METHODS OF DIAGNOSING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) USING NOVEL MOLECULAR BIOMARKERS MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2015-12-10 WO claimed
US-7026360-B1 Pharmaceutical compositions containing compounds with activity for the enhancement of absorption of active ingredients INPHARMA S.A. (CH) 2006-04-11 US disclosed