SCHEMBL7042962

SCHEMBL7042962

CN(C)CC[C@@H]1OCC(=O)C1NC(=O)[CH]CC(C)(CCc1ccccc1)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.31
HDAC1 Q13547 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL6590362 1.00 SSTR4 (0.31) SSTR4HDAC1NAAA
SCHEMBL6586151 0.91 ALDH1A1 (0.31)
SCHEMBL6591206 0.90 SSTR4 (0.32) SSTR4HDAC1NAAA
SCHEMBL7418471 0.89 CTSL (0.37) SSTR4NAAA
SCHEMBL6592004 0.89 CTSL (0.37) SSTR4NAAA
SCHEMBL6588417 0.85 CHRM2 (0.32)
SCHEMBL7111617 0.85 CHRM2 (0.32)
SCHEMBL6592697 0.84 CTSL (0.33)
SCHEMBL7412446 0.84 NAAA (0.35) SSTR4NAAA
SCHEMBL6588900 0.84 NAAA (0.35) SSTR4NAAA

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
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP claimed