SCHEMBL3722140

SCHEMBL3722140

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.67
ADRB1 P08588 9/20 0.67
ADRB3 P13945 6/20 0.67
ADRA1A P35348 6/20 0.67
CYP2D6 P10635 3/20 0.67
SLC6A4 P31645 3/20 0.67
DRD2 P14416 2/20 0.67
SLC6A3 Q01959 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C19 P33261 2/20 0.67
DRD3 P35462 2/20 0.67
PGR P06401 1/20 0.67
PTGS2 P35354 1/20 0.67
CYP3A4 P08684 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
ADRA1D P25100 4/20 0.66
ADRA1B P35368 4/20 0.66
ADRA2A P08913 2/20 0.61
KDM4E B2RXH2 2/20 0.61

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
SCHEMBL16858630 0.93 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL3723459 0.90 ADRB1 (0.77) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL11199075 0.88 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL16858628 0.88 ADRB2 (0.64) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL3720694 0.87 ADRB2 (0.59) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL7208690 0.87 ADRB2 (0.80) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL7208694 0.87 ADRB2 (0.80) ADRB2ADRB1ADRB3ADRA1ACYP2D6
Water SCHEMBL29020001 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL11810215 0.85 ADRB2 (0.73) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL721150 0.84 ADRB2 (0.69) ADRB2ADRB1ADRB3ADRA1ACYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999134-B Preparation method of formoterol, pharmaceutically acceptable salts thereof and intermediates thereof 广州呼吸药物工程技术有限公司 2024-11-05 CN disclosed
CN-113999134-A Preparation method of formoterol, medicinal salt and intermediate thereof 广州健康元呼吸药物工程技术有限公司 2022-02-01 CN disclosed
WO-2010129987-A1 NOVEL RECEPTOR HETERO-DIMERS/-OLIGOMERS DIMERIX BIOSCIENCE PTY LTD (AU) 2010-11-18 WO disclosed
EP-2077830-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR THE TREATMENT OF THYROID EYE DISEASE Lithera, Inc. (US) 2009-07-15 EP disclosed
WO-2008048770-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR THE TREATMENT OF THYROID EYE DISEASE LIPOTHERA, INC. (US) 2008-04-24 WO disclosed