SCHEMBL12217201

SCHEMBL12217201

COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)C2C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ SCN9A Q15858 2/20 0.32
▸ DPP8 Q6V1X1 2/20 0.30
▸ DPP9 Q86TI2 2/20 0.30
▸ DPP7 Q9UHL4 2/20 0.30
▸ ABHD6 Q9BV23 1/20 0.30
▸ NAMPT P43490 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
SCHEMBL12192502 0.90 DDB1 (0.34) DDB1CRBNSCN9ADPP8DPP9
SCHEMBL12192457 0.88 DDB1 (0.34) DDB1CRBNSCN9ANAMPT
SCHEMBL12192472 0.88 DDB1 (0.34) DDB1CRBNSCN9ANAMPT
SCHEMBL8043831 0.84 DDB1 (0.36) DDB1CRBNSCN9ADPP8DPP9
SCHEMBL8052080 0.81 DDB1 (0.35) DDB1CRBNSCN9ANAMPT
SCHEMBL12549189 0.72 DPP8 (0.37) DDB1CRBNDPP8DPP9DPP7
SCHEMBL12192505 0.71 — —
SCHEMBL12549469 0.71 DPP8 (0.38) DDB1CRBNDPP8DPP9DPP7
SCHEMBL6913773 0.70 DDB1 (0.42) DDB1CRBNDPP8DPP9DPP7
SCHEMBL14963381 0.70 DDB1 (0.42) DDB1CRBNDPP8DPP9DPP7

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
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
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