SCHEMBL3390989

SCHEMBL3390989

CCCCCCCCCCCC1CCCN1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR2 O95136 2/20 0.46
S1PR4 O95977 2/20 0.46
S1PR5 Q9H228 2/20 0.46
PRCP P42785 2/20 0.44
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GBA1 P04062 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GNAO1 P09471 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
GUSB P08236 1/20 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
SCHEMBL21859515 1.00 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL11844177 1.00 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL27855810 1.00 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL10519072 1.00 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL28798039 1.00 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL26093899 1.00 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL27872322 1.00 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL1383180 0.98 S1PR1 (0.44) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL29449286 0.94 S1PR1 (0.45) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL7303522 0.94 S1PR1 (0.45) S1PR1S1PR3S1PR2S1PR4S1PR5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104211620-A PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEM IND LTD 2014-12-17 CN disclosed
CN-102482208-B Ionic Liquid Containing Allyl Sulfonate Anion WAKO PURE CHEMICAL INDUSTRY CO LTD 2014-02-26 CN disclosed
CN-102482208-A Ionic Liquid Containing Allyl Sulfonate Anion WAKO PURE CHEM IND LTD 2012-05-30 CN disclosed
CN-102482197-A Process for producing diquaternary ammonium salt and novel intermediate WAKO PURE CHEM IND LTD 2012-05-30 CN disclosed
WO-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO disclosed