SCHEMBL7314032

SCHEMBL7314032

O=C1CCC(c2ccc(N3CC(OCc4ccccc4)OC3=O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.43
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
FADS1 O60427 1/20 0.39
ESR2 Q92731 2/20 0.39
F10 P00742 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
SCHEMBL7314041 1.00 GRM2 (0.43) GRM2CTSVCTSLCTSBCTSS
SCHEMBL7308062 0.83 GRM2 (0.50) GRM2
SCHEMBL7308070 0.83 GRM2 (0.50) GRM2
SCHEMBL27319009 0.77 ESR2 (0.36) CTSVCTSLCTSBCTSSCTSK
SCHEMBL7753890 0.73 ESR2 (0.47) CTSLCTSBCTSKESR2
SCHEMBL7308961 0.72 MAOA (0.51) GRM2ESR2F10
SCHEMBL7308967 0.72 MAOA (0.51) GRM2ESR2F10
SCHEMBL5617534 0.72 GRM2 (0.48) GRM2F10
SCHEMBL5618256 0.72 GRM2 (0.48) GRM2F10
SCHEMBL5617531 0.72 GRM2 (0.48) GRM2F10

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
US-5574055-A COGNITIVE AND NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
EP-0657440-A1 Oxazolidine-2-one derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 EP disclosed