SCHEMBL1622254

SCHEMBL1622254

CCNS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCN(C[C@H](O)c3cccnc3)C(=O)OC(C)(C)C)cc2)cc1OC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.61
ADRB1 P08588 9/20 0.61
ADRB2 P07550 1/20 0.49

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
SCHEMBL4939147 0.92 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL4939137 0.92 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL1622715 0.90 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL1620734 0.89 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL1621056 0.88 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL1621062 0.88 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL1621053 0.88 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL1621064 0.88 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL1621149 0.88 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL1621144 0.88 ADRB3 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed