Carmoterol

Carmoterol

SCHEMBL27740001

COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3nc(O)ccc23)cc1.Cl

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB2

The experimentally established mechanism targets of Carmoterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 known ✓ P07550 16/20 0.62
▸ ADRB1 P08588 9/20 0.52
▸ ADRB3 P13945 4/20 0.49
▸ DRD2 P14416 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ PGR P06401 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ HIF1A Q16665 1/20 0.43

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
Carmoterol SCHEMBL27760495 0.99 ADRB2 (0.63) ADRB2ADRB1ADRB3DRD2CYP2C19
Carmoterol SCHEMBL27760493 0.99 ADRB2 (0.63) ADRB2ADRB1ADRB3DRD2CYP2C19
Hydrochloric Acid SCHEMBL30339888 0.85 CYP2C19 (0.64) ADRB2ADRB1ADRB3DRD2CYP2C19
Hydrochloric Acid SCHEMBL28360013 0.85 CYP2C19 (0.64) ADRB2ADRB1ADRB3DRD2CYP2C19
Carmoterol SCHEMBL364838 0.78 ADRB2 (0.98) ADRB2ADRB1
Carmoterol SCHEMBL4360089 0.78 ADRB2 (0.98) ADRB2ADRB1
Carmoterol SCHEMBL29355060 0.78 ADRB2 (0.98) ADRB2ADRB1
Carmoterol SCHEMBL594076 0.78 ADRB2 (0.98) ADRB2ADRB1
Carmoterol SCHEMBL10494473 0.78 ADRB2 (0.98) ADRB2ADRB1
Carmoterol SCHEMBL10494299 0.78 ADRB2 (0.98) ADRB2ADRB1

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-101437520-A Systems and methods for the delivery of corticosteroids having an increased lung deposition VERUS PHARMACEUTICALS INC (SE) 2009-05-20 — — CN disclosed
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