SCHEMBL6239352

SCHEMBL6239352

CC(C)(C)C(CN(C[C@H](O)c1cccc(Cl)c1)C(=O)O)c1ccc(-c2ccc(C=O)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.42
ADRB1 P08588 12/20 0.42
APP P05067 1/20 0.36
ADRB2 P07550 2/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL4474256 0.83 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL4474254 0.83 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL9542004 0.81 ADRB3 (0.38) ADRB3ADRB1ADRB2
SCHEMBL6239350 0.78 ADRB3 (0.45) ADRB3ADRB1
SCHEMBL6242580 0.76 ADRB3 (0.42) ADRB3ADRB1ADRB2
SCHEMBL6804979 0.76 HSD11B1 (0.36) ADRB3ADRB1ADRB2
SCHEMBL6134516 0.74 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL6134520 0.74 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL6266344 0.70 ADRB3 (0.42) ADRB3ADRB1ADRB2
SCHEMBL6266343 0.68 ADRB3 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed