SCHEMBL2354898

SCHEMBL2354898

COc1ccc(C(C)(C)NC(O)Cc2ccc(O)c(NC=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 13/20 0.53
▸ ADRB2 P07550 12/20 0.53
▸ ADRB1 P08588 7/20 0.53
▸ DRD2 P14416 2/20 0.53
▸ PGR P06401 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ DRD3 P35462 1/20 0.53

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
SCHEMBL4458567 0.81 ADRB2 (0.67) ADRB3ADRB2ADRB1DRD2PGR
SCHEMBL14118053 0.81 ADRB2 (0.67) ADRB3ADRB2ADRB1DRD2PGR
SCHEMBL3628729 0.81 ADRB2 (0.67) ADRB3ADRB2ADRB1DRD2PGR
SCHEMBL7182431 0.79 ADRB2 (0.56) ADRB3ADRB2ADRB1DRD2PGR
SCHEMBL14118055 0.78 ADRB2 (0.60) ADRB3ADRB2ADRB1DRD2PGR
SCHEMBL3412030 0.78 ADRB2 (0.66) ADRB3ADRB2ADRB1DRD2PGR
SCHEMBL546271 0.77 ADRB3 (0.73) ADRB3ADRB2ADRB1DRD2PGR
SCHEMBL9402466 0.77 ADRB3 (0.73) ADRB3ADRB2ADRB1DRD2PGR
SCHEMBL30049456 0.77 ADRB3 (0.73) ADRB3ADRB2ADRB1DRD2PGR
SCHEMBL2832807 0.74 ADRB3 (0.56) ADRB3ADRB2ADRB1DRD2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2355808-A2 ARFORMOTEROL AND TIOTROPIUM COMPOSITIONS AND METHODS FOR USE Sunovion Pharmaceuticals Inc. (US) 2011-08-17 — — EP disclosed
WO-2010048384-A2 ARFORMOTEROL AND TIOTROPIUM COMPOSITIONS AND METHODS FOR USE SEPRACOR INC. (US) 2010-04-29 — — WO disclosed
EP-1643980-A1 DRY POWDER FOR INHALATION COMPRISING A FORMOTEROL SALT AND CICLESONIDE Aventis Pharma Limited (GB) 2006-04-12 — — EP disclosed
WO-2005004853-A1 DRY POWDER FOR INHALATION COMPRISING A FORMOTEROL SALT AND CICLESONIDE AVENTIS PHARMA LIMITED (GB) 2005-01-20 — — WO disclosed
EP-1446380-A1 FORMOTEROL TARTRATE PROCESS AND POLYMORPH Sepracor Inc. (US) 2004-08-18 — — EP disclosed
WO-2003042165-A1 FORMOTEROL TARTRATE PROCESS AND POLYMORPH SEPRACOR INC. (US) 2003-05-22 — — WO disclosed
EP-1093450-A1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION Sepracor Inc. (US) 2001-04-25 — — EP disclosed
EP-1082293-A2 FORMOTEROL POLYMORPHS Sepracor Inc. (US) 2001-03-14 — — EP disclosed
WO-2000067741-A2 (S,R) FORMOTEROL METHODS AND COMPOSITIONS SEPRACOR INC. (US) 2000-11-16 — — WO disclosed
WO-2000021487-A2 FORMOTEROL POLYMORPHS SEPRACOR INC. (US) 2000-04-20 — — WO disclosed
WO-1999067198-A1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION SEPRACOR INC. (US) 1999-12-29 — — WO disclosed
EP-0938467-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR, INC. (US) 1999-09-01 — — EP disclosed
WO-1998021175-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR, INC. (US) 1998-05-22 — — WO disclosed
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