SCHEMBL30835103

SCHEMBL30835103

COc1ccc(CC(C)NCC(O)c2ccc(OCc3ccccc3)c(NC=O)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.70
ADRB1 P08588 8/20 0.70
ADRB3 P13945 8/20 0.70
DRD2 P14416 2/20 0.70
PGR P06401 1/20 0.70
SLC6A4 P31645 1/20 0.70
ADRA1A P35348 1/20 0.70
PTGS2 P35354 1/20 0.70
SLC6A3 Q01959 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP2C19 P33261 1/20 0.70
DRD3 P35462 1/20 0.70

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
SCHEMBL11813788 0.91 ADRB2 (0.59) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL2793400 0.87 ADRB2 (0.53) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL2793403 0.87 ADRB2 (0.53) ADRB2ADRB1ADRB3DRD2PGR
Arformoterol SCHEMBL4727056 0.85 ADRB2 (0.87) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL11817822 0.84 ADRB3 (0.50) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL30835089 0.84 ADRB2 (0.59) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL20699478 0.84 ADRB2 (0.73) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL1151393 0.84 ADRB2 (0.73) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL11818019 0.83 ADRB2 (0.50) ADRB2ADRB1ADRB3DRD2PGR
Formoterol SCHEMBL6528975 0.83 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2PGR

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
CN-117682969-A Preparation method of formoterol intermediate 浙江理工大学 2024-03-12 CN claimed
CN-117682969-A Preparation method of formoterol intermediate 浙江理工大学 2024-03-12 CN disclosed
CN-117682969-A Preparation method of formoterol intermediate 浙江理工大学 2024-03-12 CN disclosed