SCHEMBL7562349

SCHEMBL7562349

CN(C#N)C(=O)C(CC1CCCCC1)NC(=O)c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.54
CTSS P25774 9/20 0.54
CTSK P43235 4/20 0.54
CTSB P07858 4/20 0.54
GPR132 Q9UNW8 1/20 0.47
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
USP30 Q70CQ3 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LDLR P01130 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
METAP2 P50579 1/20 0.40

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
SCHEMBL7535546 0.90 CTSL (0.54) CTSLCTSSCTSKCTSBGPR132
SCHEMBL5522774 0.89 CTSS (0.53) CTSLCTSSCTSKCTSBGPR132
SCHEMBL5523605 0.89 CTSL (0.53) CTSLCTSSCTSKCTSBGPR132
SCHEMBL7567919 0.89 USP30 (0.54) CTSLCTSSCTSKCTSBGPR132
SCHEMBL5530441 0.88 CTSL (0.69) CTSLCTSSCTSKCTSBGRN
SCHEMBL5525335 0.88 CTSL (0.69) CTSLCTSSCTSKCTSBGRN
SCHEMBL7539325 0.88 CTSS (0.54) CTSLCTSSCTSKCTSBGPR132
SCHEMBL5520686 0.88 CTSL (0.58) CTSLCTSSCTSKCTSBGPR132
SCHEMBL7539158 0.87 CTSL (0.55) CTSLCTSSCTSKCTSBGRN
SCHEMBL5525443 0.87 CTSL (0.55) CTSLCTSSCTSKCTSBMETAP2

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