SCHEMBL8052080

SCHEMBL8052080

COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)[C@@H]2c3ccccc3OC[C@H](NC(=O)OC(C)(C)C)C(=O)N12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ SCN9A Q15858 4/20 0.33
▸ RIPK1 Q13546 7/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ GAA P10253 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ TAOK3 Q9H2K8 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
SCHEMBL8043831 0.82 DDB1 (0.36) DDB1CRBNSCN9ANAMPT
SCHEMBL12192502 0.82 DDB1 (0.34) DDB1CRBNSCN9ANAMPT
SCHEMBL12217201 0.81 DDB1 (0.34) DDB1CRBNSCN9ANAMPT
SCHEMBL8050931 0.80 — —
SCHEMBL12192472 0.79 DDB1 (0.34) DDB1CRBNSCN9ANAMPT
SCHEMBL12192457 0.79 DDB1 (0.34) DDB1CRBNSCN9ANAMPT
SCHEMBL12192449 0.79 GAA (0.36) SCN9ARIPK1GAA
SCHEMBL12549469 0.70 DPP8 (0.38) DDB1CRBNGAA
SCHEMBL12549189 0.70 DPP8 (0.37) DDB1CRBNNAMPTGAADRD2
SCHEMBL6913773 0.69 DDB1 (0.42) DDB1CRBNNAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030307-B2 Bicyclic, C5-substituted proline derivatives as inhibitors of the hepatitis C virus NS3 protease ENANTA PHARMACEUTICALS, INC. (US) 2011-10-04 — — US disclosed
US-8030307-B2 Bicyclic, C5-substituted proline derivatives as inhibitors of the hepatitis C virus NS3 protease ENANTA PHARMACEUTICALS, INC. (US) 2011-10-04 — — US disclosed
WO-2009070689-A1 BICYCLIC, C5-SUBSTITUTED PROLINE DERIVATIVES AS INHIBITORS OF THE HEPATITIS C VIRUS NS3 PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2009-06-04 — — WO disclosed
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