SCHEMBL13435907

SCHEMBL13435907

C=C(NOCC(C)(C)C)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CYP3A4 P08684 1/20 0.30
▸ PLG P00747 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
SCHEMBL13435750 0.92 ADRB3 (0.35) F2F10PRSS1ADRB3ADRA2B
SCHEMBL13435939 0.91 ADRB3 (0.35) F2F10PRSS1ADRB3ADRA2B
SCHEMBL13435935 0.91 ADRB3 (0.35) F2F10PRSS1ADRB3ADRA2B
SCHEMBL13435751 0.89 ADRB3 (0.36) F2F10PRSS1ADRB3ADRA2B
SCHEMBL8237405 0.87 F2 (0.39) F2F10PRSS1ADRB3ADRA2B
SCHEMBL7999967 0.86 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL1645865 0.86 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL8378473 0.86 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL1645862 0.86 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL8237408 0.86 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B

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-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 — — EP disclosed
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