SCHEMBL7530882

SCHEMBL7530882

C[C@H](CC#N)CNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.59
CTSL P07711 12/20 0.59
CTSB P07858 8/20 0.59
CTSK P43235 5/20 0.59
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.48

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
SCHEMBL7529135 1.00 CTSS (0.59) CTSSCTSLCTSBCTSKLMNA
SCHEMBL5370600 0.83 LMNA (0.55) CTSSCTSLCTSBCTSKLMNA
SCHEMBL7378563 0.83 SYK (0.57) CTSSCTSLCTSBCTSKLMNA
SCHEMBL6182065 0.83 CTSS (0.58) CTSSCTSLCTSBCTSKHTT
SCHEMBL28522803 0.82 LMNA (0.54) CTSSCTSLCTSBCTSKLMNA
SCHEMBL1287197 0.82 HTT (0.55) CTSSCTSLCTSBCTSKLMNA
SCHEMBL28522801 0.82 LMNA (0.54) CTSSCTSLCTSBCTSKLMNA
SCHEMBL20681083 0.82 LMNA (0.54) CTSSCTSLCTSBCTSKLMNA
SCHEMBL5075354 0.81 LMNA (0.50) CTSSCTSLCTSBCTSKLMNA
SCHEMBL854096 0.81 CTSS (0.68) CTSSCTSLCTSBCTSKLMNA

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-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO disclosed