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Sugi Predict / Compounds / SCHEMBL17008205

SCHEMBL17008205

SCHEMBL17008205

CN=[SH]1(O)CCN(c2ccc(-c3cn(-c4ccc(F)cn4)nc3[C@@H]3CC[C@H](F)C[C@H]3C(=O)N[C@@H](C)C#N)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.41
▸ SLC6A9 P48067 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSB P07858 2/20 0.30

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
SCHEMBL17008303 0.93 CTSK (0.42) CTSKSLC6A9CTSSCTSB
SCHEMBL17008203 0.89 CTSK (0.47) CTSKSLC6A9CTSSCTSB
SCHEMBL17008374 0.89 CTSK (0.54) CTSKCTSSCTSB
SCHEMBL17008305 0.87 CTSK (0.47) CTSKSLC6A9CTSSCTSB
SCHEMBL18279810 0.87 CTSK (0.47) CTSKSLC6A9CTSSCTSB
SCHEMBL17008769 0.81 CTSK (0.63) CTSKCTSSCTSB
SCHEMBL17008386 0.81 CTSK (0.57) CTSKCTSSCTSB
SCHEMBL17008252 0.80 CTSK (0.65) CTSKCTSSCTSB
SCHEMBL17008275 0.80 CTSK (0.38) CTSK
SCHEMBL23968058 0.79 CTSK (0.55) CTSKCTSSCTSB

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-2015120580-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 — — WO claimed