SCHEMBL6154646

SCHEMBL6154646

CCN(C=O)C(ONCCc1ccc(CCC(=O)O)cc1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.50
TSHR P16473 4/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
ADORA2B P29275 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
ADORA1 P30542 2/20 0.50
MEN1 O00255 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2D6 P10635 1/20 0.50
PMP22 Q01453 1/20 0.49
ATM Q13315 1/20 0.49
GNMT Q14749 1/20 0.48
EZH2 Q15910 3/20 0.48
NT5E P21589 1/20 0.48
MAPK1 P28482 2/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL8461385 0.93 AHCY (0.51) ADORA2ATSHRKMT2AADORA2BADORA3
SCHEMBL8242276 0.86 TSHR (0.43) ADORA2ATSHRKMT2AADORA2BADORA3
SCHEMBL19066616 0.81 AHCY (0.58) ADORA2ATSHRKMT2AADORA2BADORA3
SCHEMBL6698657 0.79 AHCY (0.55) ADORA2ATSHRKMT2AADORA2BADORA3
SCHEMBL1081737 0.78 ADORA2A (0.68) ADORA2ATSHRKDM4EKMT2AADORA2B
Hydrochloric Acid SCHEMBL6754869 0.78 ADORA2A (0.68) ADORA2ATSHRKDM4EKMT2AADORA2B
Hydrochloric Acid SCHEMBL2031971 0.77 ADORA2A (0.67) ADORA2ATSHRKDM4EKMT2AADORA2B
SCHEMBL5685760 0.77 AHCY (0.54) ADORA2ATSHRKMT2AADORA2BADORA3
SCHEMBL177772 0.76 AHCY (0.61) ADORA2ATSHRKMT2AADORA2BADORA3
SCHEMBL28901883 0.76 AHCY (0.61) ADORA2ATSHRKMT2AADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014995-A4 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES ADERIS PHARMACEUTICALS INC (US) 2005-02-16 EP claimed
US-6372723-B1 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS, INC. 2002-04-16 US claimed
JP-2002505687-A 2002-02-19 JP claimed
US-6339072-B2 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS INC. 2002-01-15 US claimed
US-20010009907-A1 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS, INC. 2001-07-26 US claimed
EP-1014995-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES Discovery Therapeutics, Inc. (US) 2000-07-05 EP claimed
WO-1998057651-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES DISCOVERY THERAPEUTICS, INC. (US) 1998-12-23 WO claimed
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 EP disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 WO disclosed