SCHEMBL10202111

SCHEMBL10202111

CC[C@]1(C)CCCN1C(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL10203108 1.00 POLB (0.38) POLBDPP4KMT2A
SCHEMBL10202105 0.83 CYP1A2 (0.40) DPP4
SCHEMBL10202113 0.81 LMNA (0.38) DPP4
SCHEMBL10202110 0.81 HTT (0.39) POLB
SCHEMBL16995151 0.79 DPP4 (0.35) DPP4
SCHEMBL16518666 0.79 DPP4 (0.35) DPP4
SCHEMBL10202323 0.79 DPP4 (0.35) DPP4
SCHEMBL10202119 0.79 DPP4 (0.34) DPP4
SCHEMBL10202326 0.79 USP2 (0.38) DPP4
SCHEMBL10203871 0.78 ALDH1A1 (0.37) DPP4KMT2A

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
WO-2012061552-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 WO disclosed