Formoterol

Formoterol

SCHEMBL29039567

COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.O.O.O=C(O)C=CC(=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 Formoterol. 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 11/20 1.00
▸ ADRB1 P08588 5/20 1.00
▸ ADRB3 P13945 5/20 1.00
▸ DRD2 P14416 2/20 0.87
▸ CYP1A2 P05177 2/20 0.87
▸ CYP3A4 P08684 2/20 0.87
▸ CYP2D6 P10635 2/20 0.87
▸ TSHR P16473 2/20 0.87
▸ MAPK1 P28482 2/20 0.87
▸ SLC6A4 P31645 2/20 0.87
▸ ADRA1A P35348 2/20 0.87
▸ PGR P06401 1/20 0.87
▸ PTGS2 P35354 1/20 0.87
▸ SLC6A3 Q01959 1/20 0.87
▸ CYP2C19 P33261 1/20 0.87
▸ DRD3 P35462 1/20 0.87
▸ LMNA P02545 1/20 0.64
▸ NFKB1 P19838 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
Arformoterol SCHEMBL17515075 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL4084169 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL31697543 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Formoterol SCHEMBL29369526 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL29488544 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL82829 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Formoterol SCHEMBL1650339 0.99 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL1660800 0.99 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL3040814 0.99 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Formoterol SCHEMBL3670606 0.99 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2

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-116466000-A Method for rapidly determining 176 PPCPs content in source water 福建省产品质量检验研究院(福建省缺陷产品召回技术中心) 2023-07-21 — — CN disclosed
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