SCHEMBL7491973

SCHEMBL7491973

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A2 P23975 6/20 0.38
CHRM1 P11229 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 1/20 0.36
LTA4H P09960 1/20 0.36
CCR3 P51677 2/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7491243 0.82 SLC6A3 (0.42) SLC6A2CHRM1SLC6A4SLC6A3KCNH2
SCHEMBL8328605 0.79 BCHE (0.43) DRD2DRD4DRD3
SCHEMBL8331028 0.78 BCHE (0.49) DRD2DRD4DRD3
SCHEMBL7491968 0.74 OPRK1 (0.44) OPRK1MAPTLTA4HCCR3DRD3
SCHEMBL7493805 0.71 OPRK1 (0.54) OPRK1MAPTLTA4HCCR3CYP2D6
SCHEMBL7493799 0.71 OPRK1 (0.54) OPRK1MAPTLTA4HCCR3CYP2D6
SCHEMBL7491794 0.70 DRD4 (0.41) OPRK1MAPTSLC6A2SLC6A4LTA4H
SCHEMBL7495709 0.70 DRD4 (0.41) OPRK1MAPTSLC6A2SLC6A4LTA4H
SCHEMBL8329958 0.70 DRD4 (0.41) OPRK1MAPTSLC6A2SLC6A4LTA4H
SCHEMBL7495991 0.70 L3MBTL1 (0.33) SLC6A2KCNH2LTA4HMEN1KMT2A

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