SCHEMBL5353469

SCHEMBL5353469

O=C(O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 1.00
CTSL P07711 12/20 0.81
CTSK P43235 5/20 0.80

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
SCHEMBL5353465 1.00 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5356678 0.91 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5356673 0.91 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5357934 0.91 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5357938 0.91 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5357612 0.90 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5357607 0.90 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5358217 0.90 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5358220 0.90 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5360253 0.89 CTSS (1.00) 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
US-7307095-B2 Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide IRM LLC (BM) 2007-12-11 US disclosed