SCHEMBL8242547

SCHEMBL8242547

Bc1cnc(C#N)nc1N(CC1CCCC1)NC(=O)c1ccc(CN2CCC(O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
CTSB P07858 1/20 0.51
F10 P00742 1/20 0.38
PRKAA2 P54646 10/20 0.38
PRKAB2 O43741 5/20 0.37
PRKAG1 P54619 5/20 0.37
PRKAA1 Q13131 5/20 0.37
PRKAG3 Q9UGI9 5/20 0.37
PRKAG2 Q9UGJ0 5/20 0.37
PRKAB1 Q9Y478 5/20 0.37
HTR2C P28335 1/20 0.36
MCHR1 Q99705 1/20 0.36
CHEK1 O14757 1/20 0.36
ACHE P22303 1/20 0.36
TNIK Q9UKE5 1/20 0.36
CHRM4 P08173 1/20 0.35
S1PR1 P21453 1/20 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
SCHEMBL8242517 0.91 CTSL (0.49) CTSLCTSSCTSKCTSBPRKAA2
SCHEMBL5591383 0.90 CTSL (0.63) CTSLCTSSCTSKCTSBF10
SCHEMBL8242954 0.89 CTSS (0.55) CTSLCTSSCTSKCTSBPRKAA2
SCHEMBL8242962 0.88 CTSS (0.55) CTSLCTSSCTSKCTSBPRKAA2
SCHEMBL8245361 0.88 CTSS (0.58) CTSLCTSSCTSKCTSBPRKAA2
Trifluoroacetic Acid SCHEMBL5591343 0.86 CTSL (0.57) CTSLCTSSCTSKCTSBF10
SCHEMBL8245158 0.84 CTSS (0.52) CTSLCTSSCTSKCTSBTNIK
SCHEMBL5591422 0.83 CTSL (0.62) CTSLCTSSCTSKCTSBPRKAA2
SCHEMBL5591307 0.82 CTSS (0.63) CTSLCTSSCTSKCTSBF10
SCHEMBL5590923 0.82 CTSL (0.60) CTSLCTSSCTSKCTSBPRKAA2

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-2007025774-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed