SCHEMBL8804126

SCHEMBL8804126

CNC(NC1CC2COCC(C1)N2C)=C(C#N)C#N

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 20/20 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
SCHEMBL8802038 0.86 HTR3A (0.30) HTR3A
SCHEMBL7491968 0.74 OPRK1 (0.44)
SCHEMBL15444631 0.68 HTR3A (0.34) HTR3A
SCHEMBL23812545 0.68 HTR3A (0.39) HTR3A
SCHEMBL7690956 0.65 HTR3A (0.33) HTR3A
SCHEMBL14232024 0.65
SCHEMBL15030963 0.65
SCHEMBL8327591 0.65 HTR3A (0.32) HTR3A
SCHEMBL6780493 0.62 LMNA (0.61) HTR3A
SCHEMBL7433252 0.62 LMNA (0.61) HTR3A

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-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed