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Sugi Predict / Compounds / SCHEMBL7947119

SCHEMBL7947119

SCHEMBL7947119

Cc1ccc(N[C@H](C(=O)N2C[C@H](OC(=O)N3Cc4cccc(Cl)c4C3)C[C@H]2C(=O)N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2C2CC2)C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.47
▸ ELANE P08246 1/20 0.41
▸ KCNH2 Q12809 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
SCHEMBL7945657 0.95 CYP3A4 (0.48) CYP3A4ELANEKCNH2
SCHEMBL7936165 0.92 CYP3A4 (0.48) CYP3A4ELANEKCNH2
SCHEMBL13336771 0.91 CYP3A4 (0.50) CYP3A4ELANEKCNH2
SCHEMBL7946975 0.90 CYP3A4 (0.47) CYP3A4ELANEKCNH2
SCHEMBL13337039 0.88 CYP3A4 (0.41) CYP3A4ELANEKCNH2
SCHEMBL7936109 0.88 CYP3A4 (0.41) CYP3A4ELANEKCNH2
SCHEMBL7942475 0.88 CYP3A4 (0.40) CYP3A4
SCHEMBL12765254 0.88 CYP3A4 (0.40) CYP3A4
SCHEMBL13365354 0.87 CYP3A4 (0.42) CYP3A4ELANEKCNH2
SCHEMBL7936170 0.86 CYP3A4 (0.40) CYP3A4ELANEKCNH2

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-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 — — WO disclosed
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