SCHEMBL7478528

SCHEMBL7478528

N#CCNC(=O)C(CNC(=O)c1c(F)cccc1F)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.52
CTSS P25774 4/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 1/20 0.45
EGLN2 Q96KS0 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
CTSV O60911 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX7 Q99572 4/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7567924 0.86 CTSL (0.54) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5525342 0.84 CTSL (0.60) CTSLCTSSCTSKCTSBRAB9A
SCHEMBL5525765 0.83 CTSL (0.71) CTSLCTSSCTSKCTSBEGLN2
SCHEMBL5530388 0.83 CTSL (0.55) CTSLCTSSCTSKCTSBCTSV
SCHEMBL7477506 0.82 CTSL (0.54) CTSLCTSSCTSKCTSBEGLN2
SCHEMBL5534377 0.81 CTSL (0.49) CTSLCTSSCTSKCTSBCTSV
SCHEMBL7561473 0.81 CTSK (0.48) CTSLCTSSCTSKCTSBCTSV
SCHEMBL7562354 0.81 CTSL (0.48) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5528527 0.81 CTSL (0.48) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5526266 0.81 CTSL (0.53) CTSLCTSSCTSKCTSBCTSV

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-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed