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SCHEMBL16449340

SCHEMBL16449340

CC1(S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@H](NC(=O)c2ccns2)C(=O)N2C[C@H](Oc4nc5cc(F)ccc5c5ccc(OC(F)(F)F)cc45)C[C@H]2C(=O)N3)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.46
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 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
SCHEMBL13975609 0.98 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13975616 0.96 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL16449341 0.95 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13975883 0.94 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL16449345 0.93 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13975771 0.93 CYP3A4 (0.47) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13975931 0.93 CYP3A4 (0.47) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL16449325 0.92 CYP3A4 (0.45) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13975165 0.92 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13975177 0.91 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB

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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