SCHEMBL6998625

SCHEMBL6998625

[c]1ccc(COCCCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HRH3 Q9Y5N1 4/20 0.49
HRH4 Q9H3N8 1/20 0.49
IDO1 P14902 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL6999489 1.00 TDP1 (0.54) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL7003895 0.95 L3MBTL1 (0.60) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL6996517 0.95 L3MBTL1 (0.60) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL7003028 0.93 L3MBTL1 (0.63) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL7004214 0.93 L3MBTL1 (0.63) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL7006623 0.93 L3MBTL1 (0.63) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL7001416 0.93 L3MBTL1 (0.63) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL7001053 0.89 TSHR (0.52) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL7006090 0.89 TSHR (0.52) TDP1L3MBTL1HRH3HRH4IDO1
SCHEMBL4069939 0.89 TDP1 (0.64) TDP1L3MBTL1HRH3HRH4IDO1

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
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP disclosed