SCHEMBL5686114

SCHEMBL5686114

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.63
CTSK P43235 12/20 0.63
CTSL P07711 4/20 0.63
CTSB P07858 4/20 0.63
REN P00797 1/20 0.51
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CAPN1 P07384 1/20 0.48

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
SCHEMBL8418512 0.85 REN (0.65) CTSSCTSKCTSLCTSBREN
SCHEMBL14485901 0.85 CTSS (0.74) CTSSCTSKCTSLCTSB
SCHEMBL5557532 0.83 REN (0.49) CTSSCTSKCTSLCTSBREN
SCHEMBL8107172 0.82 CTSS (0.64) CTSSCTSKCTSLCTSB
SCHEMBL7980282 0.82 CTSS (0.64) CTSSCTSKCTSLCTSB
SCHEMBL15308916 0.82 CTSS (0.60) CTSSCTSKCTSLCTSB
SCHEMBL15702860 0.81 CTSS (0.58) CTSSCTSKCTSLCTSB
SCHEMBL8771983 0.81 CTSL (0.55) CTSSCTSKCTSLCTSBREN
SCHEMBL3274015 0.80 EPHX2 (0.58) CTSSCTSKCTSLCTSB
SCHEMBL22522212 0.80 CTSL (0.54) CTSSCTSKCTSLCTSBREN

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-1294395-B1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND A FACTOR VIIa INHIBITOR ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20030153506-A1 Combination product comprising melagatran and factor VIIa inhibitor ASTRAZENECA AB (SE) 2003-08-14 US disclosed