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SCHEMBL14747664

SCHEMBL14747664

CC(C)c1ccc(-c2cc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3c(n2)C2C=C(F)C=CC2O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CYP3A4 P08684 2/20 0.42
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 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
SCHEMBL14747668 0.88 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14747663 0.88 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL6857377 0.84 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14747676 0.84 CYP3A4 (0.46) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14747675 0.83 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14747672 0.80 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14747666 0.80 CTSB (0.48) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13617330 0.79 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14747660 0.78 CTSB (0.47) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13617630 0.78 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB

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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