SCHEMBL4064455

SCHEMBL4064455

CCOC[C@@H]1CCCN1CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.85
HTR3A P46098 1/20 0.46
ADORA1 P30542 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
SCHEMBL1373040 0.92 HRH3 (1.00) HRH3HTR3A
SCHEMBL1374936 0.92 HRH3 (1.00) HRH3HTR3A
SCHEMBL1373037 0.92 HRH3 (1.00) HRH3HTR3A
SCHEMBL12003271 0.89 HRH3 (0.88) HRH3HTR3AADORA1
SCHEMBL1375992 0.87 HRH3 (1.00) HRH3HTR3A
SCHEMBL1373208 0.87 HRH3 (1.00) HRH3HTR3A
SCHEMBL1375367 0.81 HRH3 (1.00) HRH3ADORA1
SCHEMBL1373388 0.81 HRH3 (1.00) HRH3ADORA1
SCHEMBL1376250 0.80 HRH3 (0.78) HRH3ADORA1
SCHEMBL11986853 0.80 HRH3 (0.78) HRH3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP claimed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO claimed