SCHEMBL13961706

SCHEMBL13961706

O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(P(=O)(O)CC2=CCCO2)NC(=O)[C@@H]2CCCN2C1=O)OC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35

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
SCHEMBL13961699 0.90 — —
SCHEMBL13961555 0.86 ADRB3 (0.39) ADRB3ADRA2BADRA2C
SCHEMBL2633296 0.86 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL14301823 0.86 ADRB3 (0.36) ADRB3ADRA2BADRA2C
SCHEMBL13962141 0.86 ADRB3 (0.39) ADRB3ADRA2BADRA2C
SCHEMBL2633212 0.85 ADRB3 (0.36) ADRB3ADRA2BADRA2C
SCHEMBL13961550 0.84 ADRB3 (0.36) ADRB3ADRA2BADRA2C
SCHEMBL2633242 0.84 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL13961549 0.84 ADRB3 (0.36) ADRB3ADRA2BADRA2C
SCHEMBL2633290 0.84 ADRB3 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008005565-A9 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2009-01-29 — — WO disclosed
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 — — WO disclosed
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