SCHEMBL7543947

SCHEMBL7543947

CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OCOC)c(OC)c3)nc2n(CCC)c1=O

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADORA2B P29275 1/20 0.55

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
SCHEMBL7543951 1.00 ADORA2A (0.55) ADORA2AADORA3ADORA2B
SCHEMBL7722409 0.92 ADORA2A (0.64) ADORA2AADORA3ADORA2B
SCHEMBL7722412 0.92 ADORA2A (0.64) ADORA2AADORA3ADORA2B
SCHEMBL7293204 0.92 ADORA2A (0.54) ADORA2AADORA3ADORA2B
SCHEMBL7293213 0.92 ADORA2A (0.54) ADORA2AADORA3ADORA2B
SCHEMBL7280362 0.86 ADORA2A (0.53) ADORA2A
SCHEMBL7728787 0.86 ADORA2A (0.53) ADORA2AADORA3ADORA2B
SCHEMBL9081677 0.86 ADORA2A (0.55) ADORA2AADORA2B
SCHEMBL9081670 0.86 ADORA2A (0.55) ADORA2AADORA2B
SCHEMBL7280368 0.86 ADORA2A (0.53) ADORA2A

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
EP-0698607-B1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 2002-05-29 EP disclosed
US-5703085-A ADENOSINE RECEPTOR ANTAGONISTS FOR TREATMENT OF PARKINSON'S DISEASE KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-30 US disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 US disclosed
EP-0698607-A1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1996-02-28 EP disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed