SCHEMBL4559703

SCHEMBL4559703

CC(C)(C)OC(=O)[Fe].COC(=O)[C@@H]1CC(O)CN1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 4/20 0.38
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
SMYD3 Q9H7B4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3547377 0.84 CHRNB2 (0.42) DPP4DPP8DPP9CHRNB2CHRNA4
SCHEMBL589711 0.84 CHRNB2 (0.42) DPP4DPP8DPP9CHRNB2CHRNA4
SCHEMBL3534892 0.84 CHRNB2 (0.42) DPP4DPP8DPP9CHRNB2CHRNA4
SCHEMBL788022 0.84 CHRNB2 (0.42) DPP4DPP8DPP9CHRNB2CHRNA4
SCHEMBL1303905 0.84 CHRNB2 (0.42) DPP4DPP8DPP9CHRNB2CHRNA4
SCHEMBL1439294 0.84 CHRNB2 (0.42) DPP4DPP8DPP9CHRNB2CHRNA4
SCHEMBL3542501 0.84 CHRNB2 (0.42) DPP4DPP8DPP9CHRNB2CHRNA4
SCHEMBL729546 0.84 CHRNB2 (0.42) DPP4DPP8DPP9CHRNB2CHRNA4
SCHEMBL699327 0.84 CHRNB2 (0.42) DPP4DPP8DPP9CHRNB2CHRNA4
SCHEMBL21673908 0.82 DPP4 (0.41) DPP4DPP8DPP9CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125113-A2 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION Achillion Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2008106130-A2 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed