Sugi Predict

Sugi Predict / Compounds / SCHEMBL696102

SCHEMBL696102

SCHEMBL696102

CN1CCN(c2ccc(S(=O)(=O)[C@@H]3C[C@@H](C(=O)N(C#N)C4CC4)N(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 16/20 0.40
▸ AR P10275 3/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 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
SCHEMBL696992 0.92 GPR119 (0.40) CTSSARNR1H2NR1H3
SCHEMBL696732 0.88 CTSS (0.41) CTSSAR
SCHEMBL695949 0.87 CTSS (0.41) CTSS
SCHEMBL697004 0.86 CTSS (0.39) CTSSAR
SCHEMBL695640 0.86 CTSS (0.40) CTSSAR
SCHEMBL696556 0.86 CTSS (0.41) CTSSAR
SCHEMBL696142 0.85 CTSS (0.38) CTSSAR
SCHEMBL694475 0.84 CTSS (0.38) CTSSAR
SCHEMBL707038 0.84 CTSS (0.46) CTSS
SCHEMBL696265 0.84 CTSS (0.46) CTSS

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-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 — — EP claimed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 — — WO claimed