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Sugi Predict / Compounds / SCHEMBL8293704

SCHEMBL8293704

SCHEMBL8293704

COC(=O)C1Cc2cnccc2CN1C(=O)C[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.42
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ SCN9A Q15858 12/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ CXCR3 P49682 1/20 0.35

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
SCHEMBL8293703 0.97 KLK5 (0.42) KLK5CTSSCTSKSCN9ATDP1
SCHEMBL8293705 0.93 CTSS (0.42) KLK5CTSSCTSKSCN9ATDP1
SCHEMBL6251076 0.91 TDP1 (0.47) KLK5CTSSCTSKSCN9ATDP1
SCHEMBL8294726 0.91 TDP1 (0.47) KLK5CTSSCTSKSCN9ATDP1
SCHEMBL8293702 0.90 CTSS (0.42) KLK5CTSSCTSKSCN9ATDP1
SCHEMBL6249845 0.89 SCN9A (0.41) CTSSCTSKSCN9ATDP1SCN10A
SCHEMBL8294435 0.89 SCN9A (0.41) CTSSCTSKSCN9ATDP1SCN10A
SCHEMBL8294434 0.86 SCN9A (0.41) CTSSCTSKSCN9ATDP1SCN10A
SCHEMBL8294728 0.83 TDP1 (0.48) CTSSCTSKSCN9ATDP1CXCR3
SCHEMBL6253225 0.83 TDP1 (0.48) CTSSCTSKSCN9ATDP1CXCR3

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-2005056013-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 — — WO disclosed