SCHEMBL9159455

SCHEMBL9159455

CCCn1c(=O)n(C)c(=O)c2nc(-c3ccc(/C=C/C(=O)O)cc3)[nH]c21

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.66
▸ ADORA3 P0DMS8 6/20 0.66
▸ ADORA2A P29274 6/20 0.66
▸ ADORA1 P30542 3/20 0.66
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ GAA P10253 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
SCHEMBL9159465 1.00 ADORA2B (0.66) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL9158997 0.94 ADORA2B (0.58) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL9158983 0.94 ADORA2B (0.58) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL6555024 0.93 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL6555021 0.93 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL9152046 0.92 ADORA2B (0.68) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL9152034 0.92 ADORA2B (0.68) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL6553753 0.88 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6553746 0.88 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9153363 0.87 ADORA2B (0.63) ADORA2BADORA3ADORA2AADORA1KDM4E

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-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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