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SCHEMBL17801794

SCHEMBL17801794

NC(=O)NCCC[C@H](NC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1)C(=O)Nc1ccc(Cc2cc([N+](=O)[O-])ccc2OC(=O)O)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.32
▸ PDF Q9HBH1 1/20 0.31
▸ USP21 Q9UK80 2/20 0.31

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
SCHEMBL17803641 0.87 PDF (0.38) SSTR3PDFUSP21
SCHEMBL17803640 0.87 PDF (0.38) SSTR3PDFUSP21
SCHEMBL16847982 0.84 HTR2A (0.37) SSTR3PDF
SCHEMBL17803629 0.84 HTR2A (0.37) SSTR3PDF
SCHEMBL19803950 0.84 HTR2A (0.37) SSTR3PDF
SCHEMBL17798538 0.84 FAP (0.40) SSTR3PDF
SCHEMBL17798537 0.84 FAP (0.40) SSTR3PDF
SCHEMBL17798539 0.84 FAP (0.40) SSTR3PDF
SCHEMBL28953170 0.82 SIRT2 (0.38) —
SCHEMBL22698603 0.81 SIRT2 (0.35) —

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-3226911-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2017-10-11 — — EP disclosed
WO-2016090038-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO disclosed
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