SCHEMBL1970600

SCHEMBL1970600

NC(=O)CC1OCCCO1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 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
SCHEMBL2674786 0.90
SCHEMBL4265506 0.77 SLC6A12 (0.37) HPGD
SCHEMBL11610955 0.75 KMT2A (0.34) HPGD
SCHEMBL27854272 0.75 HPGD (0.31) HPGD
SCHEMBL604515 0.75 SLC6A12 (0.36) HPGD
SCHEMBL2561552 0.75
SCHEMBL14744489 0.75
SCHEMBL14744490 0.75
SCHEMBL19744067 0.73 LMNA (0.36) HPGD
Potassium Ion SCHEMBL3267698 0.73 HPGD (0.30) HPGD

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
EP-2334657-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed