SCHEMBL5178192

SCHEMBL5178192

CC(C)Sc1cc(-c2ccc(CCNC[C@@H](O)c3ccccc3)cc2)ccc1C(=O)NS(=O)(=O)CC#N

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.79
ADRB1 P08588 9/20 0.68
ADRB2 P07550 1/20 0.57

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
SCHEMBL5178177 1.00 ADRB3 (0.79) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL1622853 0.99 ADRB3 (0.79) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL1622848 0.99 ADRB3 (0.79) ADRB3ADRB1ADRB2
SCHEMBL4585635 0.88 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL4585630 0.88 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4584432 0.87 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4584435 0.87 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL1621958 0.87 ADRB3 (0.79) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622540 0.87 ADRB3 (0.80) ADRB3ADRB1
SCHEMBL1621956 0.87 ADRB3 (0.79) 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 claimed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 WO claimed