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SCHEMBL18948772

SCHEMBL18948772

C=CC(=O)N1CCCC(C)[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.31
▸ SCN9A Q15858 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
SCHEMBL18948771 0.98 CYP3A4 (0.31) CYP3A4SCN9A
SCHEMBL18948823 0.96 CYP3A4 (0.32) CYP3A4
SCHEMBL13435826 0.91 CYP3A4 (0.34) CYP3A4
SCHEMBL13499989 0.89 CYP3A4 (0.37) CYP3A4
SCHEMBL13473710 0.89 CYP3A4 (0.37) CYP3A4
SCHEMBL13500353 0.89 CYP3A4 (0.37) CYP3A4
SCHEMBL13433554 0.89 CYP3A4 (0.35) CYP3A4
SCHEMBL13460999 0.89 CYP3A4 (0.35) CYP3A4
SCHEMBL6912371 0.89 CYP3A4 (0.35) CYP3A4
SCHEMBL19069279 0.89 CYP3A4 (0.35) CYP3A4

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-9676785-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-06-13 — — US disclosed
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