SCHEMBL14158019

SCHEMBL14158019

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)Cn1nnc(-c2cccc(OCc3ccccc3)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.57
CTSS P25774 6/20 0.49
CTSL P07711 3/20 0.47
CTSB P07858 1/20 0.47
CAPN1 P07384 2/20 0.47
ANPEP P15144 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL14158080 0.92 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14158039 0.92 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14158030 0.91 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14158041 0.89 CTSK (0.55) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14158040 0.87 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14158005 0.87 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14158085 0.86 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14158078 0.86 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14158047 0.85 CTSK (0.51) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14158000 0.85 CTSL (0.54) CTSKCTSSCTSLCTSBCAPN1

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
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed