SCHEMBL6566400

SCHEMBL6566400

CCCCCCCCCCCCCCCCCCC1CNCCN1CCCCCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR5 Q9H228 3/20 0.43
GNAO1 P09471 6/20 0.42
S1PR4 O95977 1/20 0.41
GNAI3 P08754 5/20 0.41
GNAI1 P63096 5/20 0.41
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SOD3 P08294 2/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL6439309 1.00 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL11015512 1.00 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL27832364 1.00 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL7022097 1.00 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL28011845 1.00 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1
Iodide SCHEMBL28818073 0.98 TAAR1 (0.51) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL4446755 0.98 TAAR1 (0.53) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL250854 0.98 TAAR1 (0.53) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL27911335 0.93 TAAR1 (0.54) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL294355 0.93 TAAR1 (0.47) TAAR1S1PR1S1PR3S1PR5GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1692513-A Fuel cell-use catalyst electrode and fuel cell having this catalyst electrode, and production methods therefor NIPPON ELECTRIC CO (JP) 2005-11-02 CN disclosed
CN-1656639-A Fuel cell-use liquid fuel and fuel cell using this, and application method for fuel cell using this NIPPON ELECTRIC CO (JP) 2005-08-17 CN disclosed
EP-1456186-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A SB 2 /SB PHOSPHOLIPASE OF GROUP II Yang Ji Chemical Company Ltd. (KR) 2004-09-15 EP disclosed
WO-2003048139-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A2 PHOSPHOLIPASE OF GROUP II YANG JI CHEMICAL COMPANY LTD. (KR) 2003-06-12 WO disclosed