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SCHEMBL14747675

SCHEMBL14747675

CC1=CC2Oc3c(O[C@@H]4C[C@H]5C(=O)N[C@]6(C(=O)NS(=O)(=O)C7(C)CC7)C[C@H]6/C=C\CCCCC[C@H](NC(=O)OC6CCCC6)C(=O)N5C4)cc(-c4nc(C(C)C)cs4)nc3C2C=C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CTSS P25774 1/20 0.44
▸ CYP3A4 P08684 2/20 0.40
▸ 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
SCHEMBL6857554 0.84 ADRB3 (0.53) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL14747664 0.83 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL6857555 0.83 ADRB3 (0.54) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL6857553 0.83 ADRB3 (0.51) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL2632563 0.82 CYP3A4 (0.46) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL6857544 0.82 ADRB3 (0.55) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL14747663 0.81 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL7866072 0.81 CTSS (0.61) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL2632561 0.80 CYP3A4 (0.48) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL6124814 0.80 CYP3A4 (0.50) ADRB3ADRA2BADRA2CCTSSCYP3A4

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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