SCHEMBL8820729

SCHEMBL8820729

CCCCCCC1CCCC(CCCC)N1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.65
S1PR4 O95977 2/20 0.65
S1PR1 P21453 2/20 0.65
S1PR3 Q99500 2/20 0.65
S1PR5 Q9H228 2/20 0.65
EPHX1 P07099 1/20 0.42
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GBA1 P04062 3/20 0.37

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
SCHEMBL31570922 1.00 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL9407912 0.98 S1PR2 (0.67) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL4388150 0.96 S1PR2 (0.64) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL10716895 0.93 S1PR2 (0.56) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL14823591 0.91 S1PR2 (0.60) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL8818989 0.91 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3118701 0.91 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3118704 0.91 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL8818981 0.91 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL21984539 0.89 S1PR2 (0.61) S1PR2S1PR4S1PR1S1PR3S1PR5

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
JP-9295937-A None JP disclosed
JP-H09295937-A SIGMA RECEPTOR BONDING INHIBITOR SUMITOMO PHARMACEUT CO LTD 1997-11-18 JP disclosed