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SCHEMBL14747669

SCHEMBL14747669

CC1(S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@H](NC(=O)C2CCCC2)C(=O)N2C[C@H](Oc4nc(-c5ccc(C(F)(F)F)cc5)nc5c4OC4C=CC=CC54)C[C@H]2C(=O)N3)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CTSB P07858 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
SCHEMBL6856850 0.85 CYP3A4 (0.45) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL6856956 0.84 CYP3A4 (0.45) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL6856565 0.83 CYP3A4 (0.44) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL14747663 0.82 ADRB3 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL14747676 0.82 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13617335 0.81 ADRB3 (0.43) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL6856551 0.80 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL6856974 0.80 CYP3A4 (0.48) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL6856579 0.80 CYP3A4 (0.50) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL6856946 0.79 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-8389560-B2 HCV protease inhibitors TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-03-05 — — US disclosed
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