SCHEMBL8152385

SCHEMBL8152385

c1ccc(-c2cccnc2C2CNCCO2)nc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL8215356 0.84 PI4KA (0.36)
SCHEMBL446316 0.81
SCHEMBL28666083 0.79 DRD2 (0.50) DRD2DRD3
SCHEMBL30711689 0.78 DRD2 (0.45) DRD2DRD3
SCHEMBL22325 0.78 DRD2 (0.45) DRD2DRD3
SCHEMBL28388107 0.78 FLT3 (0.40)
SCHEMBL28105993 0.77 DRD2 (0.42) DRD2DRD3
SCHEMBL27816652 0.77 DRD2 (0.42) DRD2DRD3
Hydrochloric Acid SCHEMBL8155047 0.77
SCHEMBL28860435 0.76 DRD2 (0.41) DRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 US disclosed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP disclosed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed