Sugi Predict

Sugi Predict / Compounds / SCHEMBL6844967

SCHEMBL6844967

SCHEMBL6844967

COC(=O)[C@@]12CC1/C=C\CCCCN(C)C(=O)[C@@H]1CC[C@@H](CC(C)(C)[Si](O)(c3ccccc3)c3ccccc3)C[C@H]1C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.39
▸ ADRB3 P13945 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 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
SCHEMBL17574493 0.83 CTSB (0.47) CTSBCTSS
SCHEMBL6844970 0.80 CTSB (0.46) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL11929778 0.80 CTSB (0.46) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL1927692 0.80 CTSB (0.46) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL6844968 0.72 CTSB (0.45) CTSBCTSS
SCHEMBL1926348 0.72 CTSB (0.45) CTSBCTSS
SCHEMBL11929776 0.72 CTSB (0.44) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13502724 0.71 CTSB (0.39) CTSBCTSS
SCHEMBL8286269 0.70 CTSB (0.42) CTSBCTSS
SCHEMBL12023453 0.70 CTSB (0.42) CTSBCTSS

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-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 — — EP disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 — — WO disclosed
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