SCHEMBL5592862

SCHEMBL5592862

CCN(CC)C1CCN(Cc2cccc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
ACKR3 P25106 9/20 0.39
ACVR1 Q04771 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RORC P51449 1/20 0.35
SSTR5 P35346 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM4 P08173 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
Trifluoroacetic Acid SCHEMBL5592941 0.95 CTSL (0.51) CTSLCTSBCTSSCTSKACKR3
SCHEMBL8236817 0.92 CTSL (0.65) CTSLCTSBCTSSCTSKACKR3
SCHEMBL5592721 0.90 CTSL (0.56) CTSLCTSBCTSSCTSKACKR3
SCHEMBL5592895 0.90 CTSL (0.60) CTSLCTSBCTSSCTSKACKR3
SCHEMBL5593161 0.89 CTSL (0.60) CTSLCTSBCTSSCTSKACKR3
SCHEMBL5592907 0.88 CTSL (0.61) CTSLCTSBCTSSCTSKACKR3
SCHEMBL5593202 0.88 CTSL (0.54) CTSLCTSBCTSSCTSKACKR3
SCHEMBL8244881 0.88 CTSL (0.58) CTSLCTSBCTSSCTSKACKR3
SCHEMBL8236804 0.87 CTSS (0.61) CTSLCTSBCTSSCTSKACKR3
SCHEMBL5592917 0.87 CTSL (0.58) CTSLCTSBCTSSCTSKACKR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO claimed
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed