SCHEMBL28420174

SCHEMBL28420174

N#CC1(NC(=O)C2(NC(=O)c3ccc(-c4ccc(N5CCNC5=O)cc4)cc3)CCCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.57
CTSB P07858 18/20 0.54
CTSS P25774 17/20 0.54
CTSK P43235 5/20 0.54
CTSD P07339 1/20 0.43

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
SCHEMBL28421501 0.86 CTSL (0.59) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28416332 0.85 CTSL (0.58) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28425996 0.85 CTSL (0.58) CTSLCTSBCTSSCTSKCTSD
SCHEMBL6184450 0.78 CTSL (0.72) CTSLCTSBCTSSCTSKCTSD
SCHEMBL18615860 0.76 CTSL (0.35) CTSLCTSBCTSSCTSK
SCHEMBL18616539 0.76 CTSL (0.35) CTSLCTSBCTSSCTSK
SCHEMBL28427138 0.76 CTSL (0.64) CTSLCTSBCTSSCTSK
SCHEMBL28424711 0.76 CTSL (0.74) CTSLCTSBCTSSCTSKCTSD
SCHEMBL28421665 0.76 CTSL (0.74) CTSLCTSBCTSSCTSKCTSD
SCHEMBL18616594 0.73 CTSB (0.43) CTSLCTSBCTSSCTSK

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
CN-106928113-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2020-07-07 CN disclosed