SCHEMBL6553746

SCHEMBL6553746

CC(C)Cn1c(=O)n(C)c(=O)c2nc(-c3ccc(/C=C/C(=O)O)cc3)[nH]c21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 11/20 0.53
▸ ADORA2A P29274 7/20 0.53
▸ ADORA3 P0DMS8 6/20 0.53
▸ ADORA1 P30542 5/20 0.53
▸ PTPN1 P18031 1/20 0.41
▸ PDE1A P54750 3/20 0.39
▸ PDE1B Q01064 3/20 0.39
▸ PDE1C Q14123 3/20 0.39
▸ PDE2A O00408 3/20 0.37

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
SCHEMBL6553753 1.00 ADORA2B (0.53) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL6554064 0.92 ADORA2B (0.55) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL6554062 0.92 ADORA2B (0.55) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9159465 0.88 ADORA2B (0.66) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9159455 0.88 ADORA2B (0.66) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9158997 0.86 ADORA2B (0.58) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9158983 0.86 ADORA2B (0.58) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9153363 0.85 ADORA2B (0.63) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9153373 0.85 ADORA2B (0.63) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL6554060 0.85 ADORA2B (0.55) ADORA2BADORA2AADORA3ADORA1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639055-A1 METHODS OF TREATING OBESITY WITH PURINE RELATED COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 1995-02-22 — — EP claimed
WO-1993021783-A1 METHODS OF TREATING OBESITY WITH PURINE RELATED COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 1993-11-11 — — WO claimed
EP-0203721-B1 8-PHENYL XANTHINES THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-10 — — EP claimed
US-4879296-A BLOCKING ADERNOSINE CELL SURFACE EFFECTS BURROUGHS WELLCOME CO. (US) 1989-11-07 — — US claimed
EP-0203721-A2 8-Phenyl xanthines THE WELLCOME FOUNDATION LIMITED (GB) 1986-12-03 — — EP claimed
EP-1104422-B1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-02-18 — — EP disclosed
EP-0639055-A1 METHODS OF TREATING OBESITY WITH PURINE RELATED COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 1995-02-22 — — EP disclosed
US-5300298-A Methods of treating obesity with purine related compounds THE PENNSYLVANIA RESEARCH CORPORATION (US) 1994-04-05 — — US disclosed
WO-1993021783-A1 METHODS OF TREATING OBESITY WITH PURINE RELATED COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 1993-11-11 — — WO disclosed
EP-0243192-B1 ANTIVIRAL 8-PHENYLXANTHINES THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-15 — — EP disclosed
EP-0203721-B1 8-PHENYL XANTHINES THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-10 — — EP disclosed
US-5017577-A Using Purine Cinnamic Acids BURROUGHS WELLCOME CO. (US) 1991-05-21 — — US disclosed
US-5015647-A Using Purine Cinnamic Acid Compounds BURROUGHS WELLCOME CO. (US) 1991-05-14 — — US disclosed
US-4981857-A ADENOSINE ANTAGONIST BURROUGHS WELLCOME CO. (US) 1991-01-01 — — US disclosed
US-4879296-A BLOCKING ADERNOSINE CELL SURFACE EFFECTS BURROUGHS WELLCOME CO. (US) 1989-11-07 — — US disclosed
EP-0243192-A2 Antiviral 8-Phenylxanthines THE WELLCOME FOUNDATION LIMITED (GB) 1987-10-28 — — EP disclosed
EP-0203721-A2 8-Phenyl xanthines THE WELLCOME FOUNDATION LIMITED (GB) 1986-12-03 — — EP disclosed
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