SCHEMBL18870947

SCHEMBL18870947

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=N)N

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.49
ELANE P08246 2/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
CTRC Q99895 2/20 0.44

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
SCHEMBL8143604 0.91 CMA1 (0.53) CMA1ELANECTSLCTSBCTSK
SCHEMBL8161374 0.91 CMA1 (0.53) CMA1ELANECTSLCTSBCTSK
SCHEMBL16405091 0.88 CYP3A4 (0.47) ELANE
SCHEMBL12066913 0.88 CYP3A4 (0.47) ELANE
SCHEMBL18870948 0.87 CMA1 (0.51) CMA1ELANECTSLCTSBCTSK
SCHEMBL8168155 0.87 CMA1 (0.61) CMA1ELANECTSLCTSBCTSK
SCHEMBL2162326 0.87 CMA1 (0.61) CMA1ELANECTSLCTSBCTSK
SCHEMBL17378396 0.87 CMA1 (0.61) CMA1ELANECTSLCTSBCTSK
SCHEMBL13258959 0.87 CMA1 (0.51) CMA1ELANECTSLCTSBCTSK
SCHEMBL4445986 0.87 CMA1 (0.61) CMA1ELANECTSLCTSBCTSK

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
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed