SCHEMBL6464673

SCHEMBL6464673

Cc1cccc(CS(=O)(=O)CCN(C(=O)N[C@@H](CCc2ccccc2)C(=O)c2nc3ccccc3o2)C(=O)C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.40
CTSS P25774 18/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSK P43235 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL6062946 0.92 PRSS8 (0.40) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6062950 0.92 PRSS8 (0.40) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7048381 0.86 PRSS8 (0.38) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6464676 0.81 CTSS (0.45) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6467209 0.80 PRSS8 (0.39) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6464410 0.78 FAAH (0.42) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7179322 0.75 CTSS (0.52) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6061657 0.75 PRSS8 (0.43) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6061819 0.74 CTSS (0.61) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6466984 0.74 PRSS8 (0.41) PRSS8CTSSCTSLCTSBCTSK

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed