SCHEMBL7700440

SCHEMBL7700440

COc1ccc(S(=O)(=O)N2CCC(CNCC(O)COc3c(Br)ccc4[nH]c5ccccc5c34)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.65
ADRB1 P08588 7/20 0.65
ADRB2 P07550 1/20 0.46

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
SCHEMBL7130776 1.00 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL7138168 0.92 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL7133458 0.88 ADRB3 (0.83) ADRB3ADRB1ADRB2
SCHEMBL7699700 0.88 ADRB3 (0.83) ADRB3ADRB1ADRB2
SCHEMBL7133320 0.87 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL7689563 0.86 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL7130781 0.80 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL7134587 0.80 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL7135095 0.80 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL7138803 0.80 ADRB3 (0.83) 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
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO disclosed