SCHEMBL6692653

SCHEMBL6692653

C[C@H](C(=O)NCC(C(=O)NCCNc1ccc(F)cc1)C1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.43
GRM7 Q14831 1/20 0.41
CTSL P07711 8/20 0.41
CTSK P43235 2/20 0.40
CCR3 P51677 1/20 0.40
EPHX1 P07099 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6691194 0.96 CTSS (0.41) CTSSGRM7CTSLCTSKCCR3
SCHEMBL6688775 0.96 CTSS (0.41) CTSSGRM7CTSLCTSKCCR3
SCHEMBL6690164 0.95 CTSS (0.44) CTSSGRM7CTSLCTSK
SCHEMBL6687363 0.95 EPHX1 (0.45) CTSSGRM7CTSLCTSKCCR3
SCHEMBL6694225 0.95 EPHX1 (0.45) CTSSGRM7CTSLCTSKCCR3
SCHEMBL6690397 0.84 CTSS (0.54) CTSSCTSLCTSK
SCHEMBL6690430 0.83 MEN1 (0.45) CTSSCTSLCCR3EPHX1
SCHEMBL6691227 0.82 CTSS (0.48) CTSSCTSLCTSKEPHX1
SCHEMBL5844661 0.81 CTSS (0.50) CTSSCTSLCTSKEPHX1
SCHEMBL6687888 0.78 EPHX2 (0.51) CTSSCTSLCTSK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed