SCHEMBL1622608

SCHEMBL1622608

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccc(S(N)(=O)=O)c(OC3CCCCC3)c2)cc1)C[C@H](OC1CCCCO1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.42
ADRB1 P08588 11/20 0.42
ADRB2 P07550 1/20 0.34
P2RX4 Q99571 1/20 0.33

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
SCHEMBL1623144 0.94 ADRB3 (0.43) ADRB3ADRB1ADRB2
SCHEMBL1623146 0.94 ADRB3 (0.43) ADRB3ADRB1ADRB2
SCHEMBL4584702 0.90 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL4584707 0.90 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL4584147 0.88 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL4584153 0.88 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL1622469 0.83 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL1622471 0.83 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL4584019 0.83 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL4584022 0.83 ADRB3 (0.41) 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 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