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Deldeprevir

Deldeprevir

SCHEMBL16020697

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCC[C@H](CC(=O)N5CCCC(F)(F)C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.67
▸ ADRB3 P13945 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ CTSB P07858 1/20 0.43
▸ CYP3A4 P08684 2/20 0.35

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
Deldeprevir SCHEMBL16020696 1.00 CTSS (0.67) CTSSADRB3ADRA2BADRA2CCTSB
Deldeprevir SCHEMBL29399555 1.00 CTSS (0.67) CTSSADRB3ADRA2BADRA2CCTSB
Deldeprevir SCHEMBL13291708 1.00 CTSS (0.67) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL25524203 0.96 CTSS (0.60) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL16927407 0.95 CTSS (0.72) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13291725 0.95 CTSS (0.72) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL16927409 0.95 CTSS (0.72) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL16927450 0.94 CTSS (0.68) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13291731 0.94 CTSS (0.68) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL16927447 0.94 CTSS (0.68) CTSSADRB3ADRA2BADRA2CCTSB

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-2364310-B1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2015-07-29 — — EP disclosed
US-8835456-B1 NS5A inhibitors useful for treating HCV ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-16 — — US disclosed
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