SCHEMBL7220467

SCHEMBL7220467

O=C1N=C(NO)SC1=Cc1ccc(N2CCC(NCC(O)COc3cccc4[nH]c(=O)[nH]c34)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.80
ADRB2 P07550 4/20 0.75
ADRB1 P08588 3/20 0.75
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6872045 1.00 ADRB3 (0.80) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6872042 1.00 ADRB3 (0.80) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6872047 1.00 ADRB3 (0.80) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6870939 0.94 ADRB3 (0.79) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6870935 0.94 ADRB3 (0.79) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6870932 0.94 ADRB3 (0.79) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6872440 0.90 ADRB3 (0.74) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6872451 0.90 ADRB3 (0.74) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6865432 0.90 ADRB3 (0.76) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6865430 0.90 ADRB3 (0.76) ADRB3ADRB2ADRB1MEN1CYP1A2

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-6583140-B2 Useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders WYETH 2003-06-24 US disclosed