SCHEMBL9158997

SCHEMBL9158997

CCCCn1c(=O)n(C)c(=O)c2nc(-c3ccc(C=CC(=O)O)cc3)[nH]c21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 12/20 0.58
▸ ADORA3 P0DMS8 10/20 0.58
▸ ADORA1 P30542 5/20 0.58
▸ ADORA2A P29274 4/20 0.58
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ PTPN1 P18031 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
SCHEMBL9158983 1.00 ADORA2B (0.58) ADORA2BADORA3ADORA1ADORA2AKDM4E
SCHEMBL9159465 0.94 ADORA2B (0.66) ADORA2BADORA3ADORA1ADORA2AKDM4E
SCHEMBL9159455 0.94 ADORA2B (0.66) ADORA2BADORA3ADORA1ADORA2AKDM4E
SCHEMBL9155681 0.93 ADORA2B (0.64) ADORA2BADORA3ADORA1ADORA2AKDM4E
SCHEMBL9155692 0.93 ADORA2B (0.64) ADORA2BADORA3ADORA1ADORA2AKDM4E
SCHEMBL9157870 0.92 ADORA2B (0.61) ADORA2BADORA3ADORA1ADORA2AKDM4E
SCHEMBL9157860 0.92 ADORA2B (0.61) ADORA2BADORA3ADORA1ADORA2AKDM4E
SCHEMBL9637190 0.87 ADORA2B (0.63) ADORA2BADORA3ADORA1ADORA2AKDM4E
SCHEMBL9637193 0.87 ADORA2B (0.63) ADORA2BADORA3ADORA1ADORA2AKDM4E
SCHEMBL6555021 0.87 ADORA2B (0.73) ADORA2BADORA3ADORA1ADORA2AKDM4E

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 15 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-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-0203721-A2 8-Phenyl xanthines THE WELLCOME FOUNDATION LIMITED (GB) 1986-12-03 — — EP disclosed
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