SCHEMBL7214606

SCHEMBL7214606

O=C1N=C(N2CCOCC2)SC1=Cc1ccc(N2CCC(NCC(O)COc3cccc4[nH]c(=O)[nH]c34)CC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.89
ADRB2 P07550 4/20 0.72
ADRB1 P08588 3/20 0.72
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6864981 1.00 ADRB3 (0.89) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6864988 1.00 ADRB3 (0.89) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6864983 1.00 ADRB3 (0.89) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6871279 0.94 ADRB3 (1.00) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6871271 0.94 ADRB3 (1.00) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6871276 0.94 ADRB3 (1.00) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6871323 0.93 ADRB3 (0.89) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6874245 0.93 ADRB3 (0.88) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6874243 0.93 ADRB3 (0.88) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6874239 0.93 ADRB3 (0.88) ADRB3ADRB2ADRB1MEN1KMT2A

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