SCHEMBL5794549

SCHEMBL5794549

CC(C)CN(c1ccnc(C#N)n1)N(CCCN1CCCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.41
GPR4 P46093 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
KCNH2 Q12809 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
MC4R P32245 3/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33

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
SCHEMBL5815642 0.88 CTSK (0.40) CTSKGPR4ATMHRH3CTSS
SCHEMBL5793393 0.85 CTSK (0.41) CTSKGPR4
SCHEMBL5791444 0.84 CTSK (0.40) CTSKGPR4
SCHEMBL5794663 0.83 CTSK (0.39) CTSKGPR4HRH3CTSBCTSS
SCHEMBL5791034 0.83 CTSK (0.42) CTSKGPR4CTSLCTSBCTSS
SCHEMBL5792592 0.82 MAOB (0.39) CTSK
SCHEMBL5792575 0.82 CTSK (0.44) CTSKGPR4CTSLCTSBCTSS
SCHEMBL5791906 0.79 MAOB (0.40) CTSK
SCHEMBL5791897 0.79 MAOB (0.41) CTSK
SCHEMBL5793788 0.78 CTSK (0.38) CTSKGPR4HRH3KCNH2CTSL

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-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 WO claimed