SCHEMBL7925281

SCHEMBL7925281

COC(=O)[C@@]12C[C@H]1/C=C\CCCCOCC(=O)N1C[C@@H](O)C[C@H]1C(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 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
SCHEMBL8247433 0.80 — —
SCHEMBL18156023 0.80 CYP3A4 (0.34) —
SCHEMBL14377836 0.79 ADRB3 (0.41) ADRB3ADRA2BADRA2C
SCHEMBL14001907 0.78 ADRB3 (0.49) ADRB3ADRA2BADRA2C
SCHEMBL8185437 0.78 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL7928356 0.76 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL7923920 0.76 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL3373243 0.76 ADRB3 (0.42) ADRB3ADRA2BADRA2C
SCHEMBL3373249 0.76 ADRB3 (0.42) ADRB3ADRA2BADRA2C
SCHEMBL15487382 0.76 ADRB3 (0.42) ADRB3ADRA2BADRA2C

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-2010033466-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE PHENOMIX CORPORATION (US) 2010-03-25 — — WO disclosed
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