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SCHEMBL19870670

SCHEMBL19870670

COC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc3cc(-c4nc(C(C)C)cs4)nc4c(C)c(OC)ccc34)C[C@H]1C(=O)N2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.67
▸ ADRA2B P18089 1/20 0.67
▸ ADRA2C P18825 1/20 0.67
▸ CTSS P25774 1/20 0.58
▸ CYP3A4 P08684 2/20 0.38
▸ CTSB P07858 2/20 0.35
▸ PPP3CB P16298 1/20 0.35
▸ PDE4B Q07343 2/20 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
SCHEMBL18018754 1.00 ADRB3 (0.67) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL3668461 0.96 ADRB3 (0.71) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL19870667 0.96 ADRB3 (0.71) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL13226962 0.96 ADRB3 (0.71) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL3668463 0.96 ADRB3 (0.71) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL18018713 0.96 ADRB3 (0.65) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL12844261 0.92 CTSS (0.70) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL7875387 0.92 CTSS (0.70) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL7875385 0.92 CTSS (0.70) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL7866072 0.92 CTSS (0.61) 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
WO-2018028634-A1 SALTS AS HCV INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-15 — — WO disclosed
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