SCHEMBL9820849

SCHEMBL9820849

[CH2]CCCCC1CNC(CCCCCC)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 4/20 0.42
GBA1 P04062 4/20 0.36
SPHK1 Q9NYA1 2/20 0.35
GUSB P08236 1/20 0.35
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR2 O95136 2/20 0.33
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 1/20 0.31
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ALOX5 P09917 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
SCHEMBL4684888 0.95 GLB1 (0.44) GLB1GBA1SPHK1GUSBS1PR1
SCHEMBL5366837 0.89 GLB1 (0.50) GLB1GBA1SPHK1GUSBS1PR1
SCHEMBL293950 0.84 GBA1 (0.41) GLB1GBA1SPHK1GUSBS1PR1
SCHEMBL294460 0.84 GBA1 (0.41) GLB1GBA1SPHK1GUSBS1PR1
SCHEMBL294624 0.80 GLB1 (0.44) GLB1GBA1SPHK1GUSBS1PR1
SCHEMBL23473144 0.78 GLB1 (0.55) GLB1GBA1SPHK1GUSB
Ammonia Solution, Strong SCHEMBL9805948 0.77 GLB1 (0.53) GLB1GBA1
SCHEMBL4682864 0.75
SCHEMBL510722 0.74 S1PR2 (0.42) GBA1SPHK1GUSBS1PR1S1PR3
SCHEMBL293106 0.74 S1PR2 (0.42) GBA1SPHK1GUSBS1PR1S1PR3

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
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed