SCHEMBL7731320

SCHEMBL7731320

CCCn1c(=O)c2[nH]c(/C=C/c3cc(C)c(OC)cc3C)nc2n(CCC)c1=O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.50

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
SCHEMBL7731330 1.00 ADORA2B (0.50) ADORA2B
SCHEMBL7308317 0.91 SIRT2 (0.44)
SCHEMBL7308331 0.91 SIRT2 (0.44)
SCHEMBL7722430 0.86 ADORA2B (0.53) ADORA2B
SCHEMBL7722434 0.86 ADORA2B (0.53) ADORA2B
SCHEMBL7728780 0.84
SCHEMBL7728786 0.84
SCHEMBL7730220 0.84 ADORA2B (0.50) ADORA2B
SCHEMBL7730227 0.84 ADORA2B (0.50) ADORA2B
SCHEMBL7301067 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628311-B1 Xanthine-Derivatives as Antidepressants KYOWA HAKKO KOGYO KK (JP) 2002-04-24 EP disclosed
EP-0565377-B1 Therapeutic agents for use in the treatment of Parkinson's Disease KYOWA HAKKO KOGYO KK (JP) 1998-01-07 EP disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 US disclosed
US-5543415-A ADMINISTERING A XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-08-06 US disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
EP-0565377-A1 Therapeutic agents for use in the treatment of parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP disclosed