Sugi Predict

Sugi Predict / Compounds / SCHEMBL13563286

SCHEMBL13563286

SCHEMBL13563286

O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCC[C@H](NC(=S)N2CCCC2)C(=O)N2CC(OC(=O)N3Cc4cccc(F)c4C3)C[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.38
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL11975855 1.00 CTSB (0.38) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL8165104 0.95 CTSB (0.38) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13798292 0.95 CTSB (0.38) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13563283 0.95 CTSB (0.38) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL11975852 0.95 CTSB (0.38) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13798294 0.95 CTSB (0.38) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL1647040 0.94 CTSB (0.36) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL1647041 0.94 CTSB (0.36) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL18810151 0.94 CTSB (0.38) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL11975850 0.93 CTSB (0.36) CTSBADRB3ADRA2BADRA2CCTSS

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
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 — — US disclosed
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 — — US disclosed
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