SCHEMBL4585203

SCHEMBL4585203

CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCN(C[C@@H](O)c3ccc(N)cc3)C(=O)O)cc2)cc1OC1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.75
ADRB1 P08588 10/20 0.65
ADRB2 P07550 2/20 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
SCHEMBL4585199 1.00 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL4584102 0.96 ADRB3 (0.74) ADRB3ADRB1ADRB2
SCHEMBL4584099 0.96 ADRB3 (0.74) ADRB3ADRB1ADRB2
SCHEMBL4584891 0.93 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL4584888 0.93 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL4585754 0.93 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL4585758 0.93 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL5703973 0.92 ADRB3 (0.69) ADRB3ADRB1ADRB2
SCHEMBL4938327 0.91 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL4938344 0.91 ADRB3 (0.61) 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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed