SCHEMBL6996517

SCHEMBL6996517

[c]1ccc(COCCCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
TSHR P16473 1/20 0.47
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
IDO1 P14902 1/20 0.43
SPHK1 Q9NYA1 2/20 0.43
MAOA P21397 1/20 0.41
NAAA Q02083 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL7003895 1.00 L3MBTL1 (0.60) L3MBTL1TDP1TSHRHRH3HRH4
SCHEMBL7006623 0.98 L3MBTL1 (0.63) L3MBTL1TDP1TSHRHRH3HRH4
SCHEMBL7003028 0.98 L3MBTL1 (0.63) L3MBTL1TDP1TSHRHRH3HRH4
SCHEMBL7004214 0.98 L3MBTL1 (0.63) L3MBTL1TDP1TSHRHRH3HRH4
SCHEMBL7001416 0.98 L3MBTL1 (0.63) L3MBTL1TDP1TSHRHRH3HRH4
SCHEMBL6999489 0.95 TDP1 (0.54) L3MBTL1TDP1TSHRHRH3HRH4
SCHEMBL6998625 0.95 TDP1 (0.54) L3MBTL1TDP1TSHRHRH3HRH4
SCHEMBL7006090 0.87 TSHR (0.52) L3MBTL1TDP1TSHRHRH3HRH4
SCHEMBL7001053 0.87 TSHR (0.52) L3MBTL1TDP1TSHRHRH3HRH4
SCHEMBL3446778 0.87 TDP1 (0.75) L3MBTL1TDP1TSHRHRH3HRH4

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