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SCHEMBL12784601

SCHEMBL12784601

C=C1N[C@]2(C(=O)O)C[C@H]2/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=C)N2CCC[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32

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
SCHEMBL12808437 0.93 ADRB3 (0.38) ADRB3ADRA2BADRA2CF2F10
SCHEMBL12783924 0.93 ADRB3 (0.38) ADRB3ADRA2BADRA2CF2F10
SCHEMBL12808491 0.93 F2 (0.34) F2F10PRSS1
SCHEMBL12808493 0.88 ADRB3 (0.39) ADRB3ADRA2BADRA2C
SCHEMBL12784573 0.87 — —
SCHEMBL12785105 0.85 F2 (0.37) ADRB3ADRA2BADRA2CF2F10
SCHEMBL12784514 0.85 F2 (0.36) ADRB3ADRA2BADRA2CF2F10
SCHEMBL1645862 0.85 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL1645865 0.85 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL8237408 0.85 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10

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
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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