SCHEMBL7577664

SCHEMBL7577664

CCN(CC)C(=O)COc1cccc2c(CCCNC[C@@H](O)c3cccc(Cl)c3)c[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.59
ADRB1 P08588 8/20 0.59
ADRB2 P07550 5/20 0.59

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
SCHEMBL8710046 0.89 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL8710317 0.89 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL8709968 0.89 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL8710122 0.89 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL8709682 0.88 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL678590 0.88 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL8710830 0.88 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL7593273 0.85 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL1812921 0.84 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL8710196 0.84 ADRB3 (0.70) ADRB3ADRB1ADRB2

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
US-6458824-B1 (3-((2R)-(((2R)-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)PROPYL)-1H-INDOL-7-YLOXY)ACETIC ACID CRYSTAL SOLIDS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-10-01 US disclosed
EP-1235801-A2 SOLID PHARMACEUTICAL PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
WO-2001040182-A2 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed