SCHEMBL5178403

SCHEMBL5178403

CC(C)Sc1cc(-c2ccc(OCCN(C[C@H](O)c3ccccc3)C(=O)OC(C)(C)C)cc2)ccc1C(=O)NS(=O)(=O)CCCO

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.46
ADRB1 P08588 8/20 0.39
BACE1 P56817 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL1622105 0.93 ADRB3 (0.44) ADRB3ADRB1BACE1
SCHEMBL1622101 0.93 ADRB3 (0.44) ADRB3ADRB1BACE1
SCHEMBL1622111 0.92 ADRB3 (0.49) ADRB3ADRB1MEN1KMT2A
SCHEMBL1622109 0.92 ADRB3 (0.49) ADRB3ADRB1MEN1KMT2A
SCHEMBL1628497 0.91 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL1622355 0.85 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL1622455 0.85 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL1622368 0.84 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL5178405 0.83 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL5241577 0.83 ADRB3 (0.49) ADRB3ADRB1

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-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 WO disclosed