SCHEMBL6589411

SCHEMBL6589411

CN(C)CCC1OCC(=O)C1NC(=O)[CH]CC(C)(C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM4 P08173 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
OPRM1 P35372 2/20 0.32
DRD3 P35462 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL7111617 0.89 CHRM2 (0.32) CHRM2CHRM1CHRM3CHRM4CTSL
SCHEMBL6588417 0.89 CHRM2 (0.32) CHRM2CHRM1CHRM3CHRM4CTSL
SCHEMBL6592697 0.86 CTSL (0.33) CTSLCTSSCTSKALDH1A1
SCHEMBL6590885 0.85 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL6591206 0.85 SSTR4 (0.32) CTSLCTSSCTSK
SCHEMBL6586151 0.84 ALDH1A1 (0.31) CTSLCTSSCTSKALDH1A1
SCHEMBL7042962 0.82 SSTR4 (0.31)
SCHEMBL6590362 0.82 SSTR4 (0.31)
SCHEMBL6589594 0.82 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL6589057 0.81 CTSL (0.31) CTSLCTSSCTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP claimed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP disclosed