SCHEMBL7491968

SCHEMBL7491968

CNC(NC1CC2COCC(C1)N2Cc1ccc(F)cc1)=C(C#N)C#N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.44
MAPT P10636 2/20 0.42
DRD3 P35462 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR3 P51677 4/20 0.38
ALPL P05186 1/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL7496396 0.83 OPRK1 (0.44) OPRK1MAPTDRD3MEN1KMT2A
SCHEMBL7496390 0.83 OPRK1 (0.44) OPRK1MAPTDRD3MEN1KMT2A
SCHEMBL7493799 0.81 OPRK1 (0.54) OPRK1MAPTDRD3MEN1KMT2A
SCHEMBL7493805 0.81 OPRK1 (0.54) OPRK1MAPTDRD3MEN1KMT2A
SCHEMBL8328601 0.80 BCHE (0.41) DRD3CCR3
SCHEMBL8329414 0.77 SIGMAR1 (0.53) DRD3CCR3
SCHEMBL8804126 0.74 HTR3A (0.41)
SCHEMBL7491973 0.74 OPRK1 (0.38) OPRK1MAPTDRD3MEN1KMT2A
SCHEMBL7493820 0.74 OPRK1 (0.45) OPRK1MAPTDRD3MEN1KMT2A
SCHEMBL9413125 0.72 HTR3A (0.48) OPRK1MAPTDRD3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760362-B1 DIAMINOMETHYLIDENE DERIVATIVE NISSHIN SEIFUN GROUP INC (JP) 2002-08-14 EP disclosed
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