SCHEMBL7716950

SCHEMBL7716950

COC(=O)Cc1ccc(NCC(C)N(CC(O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.32
ADRB3 P13945 10/20 0.32
ADRB1 P08588 9/20 0.32
PPARD Q03181 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL7714670 0.94 ADRB2 (0.33) ADRB2ADRB3ADRB1ITGB1ITGA4
SCHEMBL7714532 0.92 ADRB2 (0.32) ADRB2ADRB3ADRB1
SCHEMBL7709011 0.91 NR1H2 (0.32) ADRB2ADRB3ADRB1ITGB1ITGA4
SCHEMBL7714622 0.89
SCHEMBL7712721 0.86 RPS6KB1 (0.30)
SCHEMBL7714567 0.86 ADRB2 (0.31) ADRB2ADRB3ADRB1
SCHEMBL8100555 0.86 ADRB2 (0.31) ADRB2ADRB3ADRB1
SCHEMBL7714803 0.86 PDCD1 (0.33)
SCHEMBL7716899 0.85 ADRB2 (0.33) ADRB2ADRB3ADRB1ITGB1ITGA4
SCHEMBL8586129 0.83 ADRB3 (0.37) ADRB2ADRB3ADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 EP disclosed
US-6048872-A DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS GLAXO WELLCOME INC. (US) 2000-04-11 US disclosed