SCHEMBL8243182

SCHEMBL8243182

CC(C)CN(NC(=O)c1ccc(OCCN2CCOCC2)cc1)c1nc(C#N)ncc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.67
CTSB P07858 1/20 0.67
CTSS P25774 1/20 0.67
CTSK P43235 1/20 0.67
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
ESR1 P03372 2/20 0.42
ACACB O00763 1/20 0.41
GCK P35557 1/20 0.40
TSHR P16473 1/20 0.40
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
PSMB1 P20618 1/20 0.39

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
SCHEMBL8245179 0.89 CTSL (0.57) CTSLCTSBCTSSCTSKHRH3
SCHEMBL8245909 0.89 CTSL (0.52) CTSLCTSBCTSSCTSKHRH3
SCHEMBL8245186 0.87 CTSL (0.83) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL8270725 0.85 HRH3 (0.47) CTSLCTSBCTSSCTSKHRH3
SCHEMBL8241795 0.81 CTSL (0.69) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL5794602 0.81 CTSL (0.47) CTSLCTSBCTSSCTSKHRH3
Trifluoroacetic Acid SCHEMBL5793415 0.81 CTSL (0.43) CTSLCTSBCTSSCTSKHRH3
SCHEMBL5592822 0.80 CTSS (0.88) CTSLCTSBCTSSCTSKTBK1
SCHEMBL8245231 0.80 CTSL (0.46) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL5592896 0.80 CTSS (1.00) CTSLCTSBCTSSCTSKTBK1

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-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed