SCHEMBL7702425

SCHEMBL7702425

Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc(CCNCC(O)COc4ccc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)cc4)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.51
ADRB1 P08588 18/20 0.51
ADRB2 P07550 6/20 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
SCHEMBL7095373 1.00 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL7235636 0.93 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL7576738 0.93 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL7094382 0.89 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL7093799 0.88 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL7594191 0.88 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL7700281 0.86 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL7094978 0.86 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL7091277 0.86 ADRB3 (0.68) ADRB3ADRB1ADRB2
SCHEMBL7591420 0.86 ADRB3 (0.68) 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-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed