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SCHEMBL16449318

SCHEMBL16449318

Cc1ccc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5cccc(F)c45)CN3C2=O)o1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.42
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ CTSS P25774 1/20 0.37

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
SCHEMBL13975773 0.93 ADRB3 (0.40) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13976008 0.92 CTSB (0.43) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL16449348 0.90 CTSB (0.42) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL16449305 0.90 CTSB (0.42) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL16449319 0.89 CTSB (0.43) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL16449310 0.89 CTSB (0.42) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13976010 0.88 CTSB (0.42) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL16449302 0.88 CTSB (0.42) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3057026 0.87 CTSB (0.43) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3057019 0.87 CTSB (0.43) CTSBADRB3ADRA2BADRA2CCYP3A4

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
US-8951964-B2 Phenanthridine macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2015-02-10 — — US disclosed
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