SCHEMBL12808437

SCHEMBL12808437

C=C1[C@@H](NC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2CCCN12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12784514 0.93 F2 (0.36) ADRB3ADRA2BADRA2CF2F10
SCHEMBL12784601 0.93 ADRB3 (0.34) ADRB3ADRA2BADRA2CF2F10
SCHEMBL7999967 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL1645860 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL13059226 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL8237408 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL8378473 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL1645862 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL1645865 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL3790347 0.93 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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