SCHEMBL7567919

SCHEMBL7567919

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.54
CTSL P07711 11/20 0.53
CTSS P25774 8/20 0.53
CTSK P43235 4/20 0.53
CTSB P07858 3/20 0.53
GPR132 Q9UNW8 1/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
KMT2A Q03164 1/20 0.41
ADCY1 Q08828 1/20 0.41
GRM5 P41594 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 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
SCHEMBL7562349 0.89 CTSL (0.54) USP30CTSLCTSSCTSKCTSB
SCHEMBL7535546 0.89 CTSL (0.54) USP30CTSLCTSSCTSKCTSB
SCHEMBL5522774 0.88 CTSS (0.53) CTSLCTSSCTSKCTSBGPR132
SCHEMBL5523605 0.88 CTSL (0.53) USP30CTSLCTSSCTSKCTSB
SCHEMBL7531795 0.88 CTSL (0.69) USP30CTSLCTSSCTSKCTSB
SCHEMBL5530441 0.87 CTSL (0.69) USP30CTSLCTSSCTSKCTSB
SCHEMBL5525335 0.87 CTSL (0.69) USP30CTSLCTSSCTSKCTSB
SCHEMBL5520686 0.87 CTSL (0.58) USP30CTSLCTSSCTSKCTSB
SCHEMBL7539325 0.87 CTSS (0.54) CTSLCTSSCTSKCTSBGPR132
SCHEMBL7533224 0.87 CTSL (0.54) USP30CTSLCTSSCTSKCTSB

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