SCHEMBL7777439

SCHEMBL7777439

Nc1cc(N2CCCNCC2)nc(N)n1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.78
HRH3 Q9Y5N1 4/20 0.58
CASP1 P29466 1/20 0.56
CASP4 P49662 1/20 0.56
CASP5 P51878 1/20 0.56
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NUDT1 P36639 2/20 0.46
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL655533 0.93 HRH4 (0.77) HRH4HRH3CASP1CASP4CASP5
SCHEMBL30296862 0.84 HRH4 (0.70) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL10678810 0.84 HRH4 (0.70) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL2797830 0.83 HRH4 (0.68) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL10674357 0.83 HRH4 (0.68) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL31503138 0.83 HRH4 (0.68) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL606966 0.80 HRH4 (0.92) HRH4HRH3
Trifluoroacetic Acid SCHEMBL7774442 0.80 HRH4 (0.57) HRH4HRH3CASP1CASP4CASP5
SCHEMBL8900887 0.79 CASP1 (0.78) HRH4HRH3CASP1CASP4CASP5
SCHEMBL8891695 0.79 CASP1 (0.78) HRH4HRH3CASP1CASP4CASP5

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-0574906-B1 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO (JP) 2001-08-22 EP disclosed
US-5380724-A Inhibitors of lipid peroxidation GYOGYSZERKUTATO INTEZET KFT (HU) 1995-01-10 US disclosed
EP-0574906-A2 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-12-22 EP disclosed