SCHEMBL7017633

SCHEMBL7017633

Nc1ccc(C[CH]C(=O)N2CCC3OCC(=O)C32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.40
CTSK P43235 4/20 0.40
CTSV O60911 4/20 0.40
CTSL P07711 3/20 0.40
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PPID Q08752 2/20 0.32
SIGMAR1 Q99720 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL7016835 0.89 CTSS (0.41) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7016638 0.88 CTSS (0.40) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7023387 0.88 CTSS (0.40) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7018439 0.88 CTSS (0.40) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7019334 0.86 CTSS (0.40) CTSSCTSKCTSVCTSLALDH1A1
SCHEMBL6801202 0.86 CTSK (0.37) CTSSCTSKCTSVCTSL
SCHEMBL7017077 0.83 CTSS (0.38) CTSSCTSKCTSVCTSL
SCHEMBL7013235 0.83 CTSS (0.37) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7019497 0.81 CTSS (0.40) CTSSCTSKCTSVCTSLSIGMAR1
SCHEMBL7017635 0.80 CTSS (0.41) CTSSCTSKCTSVCTSLPPID

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
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed