Sugi Predict

Sugi Predict / Compounds / SCHEMBL8108734

SCHEMBL8108734

SCHEMBL8108734

N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 19/20 0.68
▸ CTSK P43235 19/20 0.68
▸ CTSS P25774 13/20 0.68
▸ KCNH2 Q12809 6/20 0.68
▸ CTSL P07711 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ MAPT P10636 1/20 0.59

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
SCHEMBL8099018 0.82 CTSB (0.76) CTSBCTSKCTSSKCNH2CTSL
SCHEMBL8108841 0.82 CTSB (0.76) CTSBCTSKCTSSKCNH2CTSL
SCHEMBL8113821 0.81 CTSB (1.00) CTSBCTSKCTSSKCNH2CTSL
SCHEMBL8109807 0.80 CTSB (0.79) CTSBCTSKCTSSKCNH2CTSL
SCHEMBL8108735 0.80 CTSB (0.79) CTSBCTSKCTSSKCNH2CTSL
SCHEMBL8109493 0.79 CTSB (1.00) CTSBCTSKCTSSKCNH2CTSL
SCHEMBL8108722 0.78 CTSB (1.00) CTSBCTSKCTSSKCNH2CTSL
SCHEMBL8112869 0.77 CTSB (1.00) CTSBCTSKCTSSKCNH2CTSL
SCHEMBL8105829 0.77 CTSB (1.00) CTSBCTSKCTSSKCNH2CTSL
SCHEMBL8106390 0.77 CTSB (1.00) CTSBCTSKCTSSKCNH2CTSL

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed