SCHEMBL8713729

SCHEMBL8713729

N#CC(C#N)=C(NC1CCCCC1)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
PRKAA2 P54646 9/20 0.46
PRKAB2 O43741 4/20 0.46
PRKAG1 P54619 4/20 0.46
PRKAA1 Q13131 4/20 0.46
PRKAG3 Q9UGI9 4/20 0.46
PRKAG2 Q9UGJ0 4/20 0.46
PRKAB1 Q9Y478 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
CCR3 P51677 1/20 0.43

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
SCHEMBL8329774 0.81 MAPK1 (0.48)
SCHEMBL8329011 0.76 PRKAA2 (0.53) GAAPRKAA2
SCHEMBL8329414 0.74 SIGMAR1 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4387949 0.74 DPP7 (0.55) GAASIGMAR1
SCHEMBL8709040 0.74 CTSS (0.43) GAAPRKAA2
SCHEMBL7494640 0.72 DRD4 (0.45) SIGMAR1CCR3
SCHEMBL7494625 0.71 CCR3 (0.42) SIGMAR1CCR3
Hydrochloric Acid SCHEMBL10646001 0.70 CCR3 (0.74) GAAPRKAA2SIGMAR1CCR3
SCHEMBL10644258 0.70 CCR3 (0.77) GAAPRKAA2SIGMAR1CCR3
SCHEMBL5698712 0.69 L3MBTL1 (0.58) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed