SCHEMBL13639481

SCHEMBL13639481

N#CC1(NC(=O)C2(CCC(=O)N3CCC4(CCCC4)CC3)CCCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.59
CTSK P43235 12/20 0.59
CTSB P07858 11/20 0.59
HSD11B1 P28845 2/20 0.35
CTSL P07711 2/20 0.35

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
SCHEMBL2526565 0.81 CTSS (0.66) CTSSCTSKCTSBCTSL
SCHEMBL347013 0.74 CTSS (1.00) CTSSCTSKCTSBCTSL
SCHEMBL8224461 0.65 CTSS (0.72) CTSSCTSKCTSBCTSL
SCHEMBL2526563 0.64 CTSS (0.59) CTSSCTSKCTSBCTSL
SCHEMBL2526560 0.64 CTSS (0.59) CTSSCTSKCTSBCTSL
SCHEMBL23673632 0.63 CTSS (0.49) CTSSCTSKCTSBCTSL
SCHEMBL31006852 0.63 CTSS (0.60) CTSSCTSKCTSBCTSL
SCHEMBL8903133 0.62 HSD11B1 (0.42) CTSSCTSKCTSBHSD11B1
SCHEMBL8904921 0.62 ALDH1A1 (0.46) CTSSCTSKCTSBHSD11B1
Hydrochloric Acid SCHEMBL20335434 0.62 CTSS (0.48) CTSSCTSKCTSBCTSL

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-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed