SCHEMBL7714945

SCHEMBL7714945

COC(=O)Cc1c(F)cc(NCC(C)N(CC(O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)c(F)c1F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
CYP3A5 P20815 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
SCHEMBL7712721 0.89 RPS6KB1 (0.30)
SCHEMBL7708894 0.88 ADRB2 (0.32)
SCHEMBL7714532 0.85 ADRB2 (0.32) CYP3A4
SCHEMBL7716899 0.84 ADRB2 (0.33) CYP3A4
SCHEMBL7714622 0.84
SCHEMBL7714803 0.83 PDCD1 (0.33)
SCHEMBL7714670 0.83 ADRB2 (0.33)
SCHEMBL7716950 0.81 ADRB2 (0.32)
SCHEMBL7709011 0.81 NR1H2 (0.32)
SCHEMBL7714947 0.79

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