SCHEMBL7449976

SCHEMBL7449976

CC(C)CC(NC(=O)c1cccc(N(C)C)c1)C(=O)N(C)C#N

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 10/20 0.57
CTSL P07711 13/20 0.54
CTSS P25774 6/20 0.54
CTSK P43235 6/20 0.54
CTSF Q9UBX1 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
F3 P13726 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL6181749 0.86 CTSB (0.57) CTSBCTSLCTSSCTSKCTSF
SCHEMBL6184085 0.86 CTSB (0.57) CTSBCTSLCTSSCTSKCTSF
SCHEMBL7452244 0.86 CTSB (0.61) CTSBCTSLCTSSCTSKCTSF
SCHEMBL6203497 0.84 CTSB (0.55) CTSBCTSLCTSSCTSKCTSF
SCHEMBL6182148 0.84 CTSB (0.55) CTSBCTSLCTSSCTSKF3
SCHEMBL6186048 0.83 CTSL (0.74) CTSBCTSLCTSSCTSK
SCHEMBL6181881 0.83 F3 (0.54) CTSBCTSLCTSSCTSKF3
SCHEMBL6182433 0.83 CTSB (0.53) CTSBCTSLCTSSCTSKCTSF
SCHEMBL6182467 0.81 CTSB (0.45) CTSBCTSLCTSSCTSK
SCHEMBL5924820 0.80 CTSB (0.58) CTSBCTSLCTSSCTSKCTSF

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-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed