SCHEMBL8327591

SCHEMBL8327591

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.32
CHRM1 P11229 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31

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
SCHEMBL8327550 0.84 CHRM1 (0.31) CHRM1SLC6A2SLC6A4
SCHEMBL7491973 0.76 OPRK1 (0.38) CHRM1SLC6A2SLC6A4
SCHEMBL15440767 0.70 CHRM1 (0.35) HTR3ACHRM1SLC6A2SLC6A4
SCHEMBL15444631 0.69 HTR3A (0.34) HTR3A
SCHEMBL7690956 0.66 HTR3A (0.33) HTR3A
SCHEMBL14232024 0.66
SCHEMBL15030963 0.66
SCHEMBL19969960 0.66 HTR3A (0.34) HTR3ACHRM1SLC6A2SLC6A4
SCHEMBL8804126 0.65 HTR3A (0.41) HTR3A
SCHEMBL3914473 0.62 HTR3A (0.38) HTR3ACHRM1

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
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
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