SCHEMBL8237405

SCHEMBL8237405

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(N)=O)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ GAA P10253 1/20 0.33
▸ XIAP P98170 2/20 0.32
▸ BIRC3 Q13489 2/20 0.32
▸ BIRC2 Q13490 2/20 0.32
▸ PDE4B Q07343 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL12785105 0.93 F2 (0.37) F2F10PRSS1ADRB3ADRA2B
SCHEMBL12784514 0.93 F2 (0.36) F2F10PRSS1ADRB3ADRA2B
SCHEMBL8237408 0.92 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL7999967 0.92 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL13059226 0.92 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL8378473 0.92 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL1645862 0.92 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL1645860 0.92 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL1645865 0.92 ADRB3 (0.42) F2F10PRSS1ADRB3ADRA2B
SCHEMBL3790347 0.92 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016127859-A1 COMPOUNDS AS HEPATITIS C INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-18 — — WO disclosed
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 — — US disclosed
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305697-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
EP-2103623-A2 Novel macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2009-09-23 — — EP disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 — — WO disclosed
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