SCHEMBL9506599

SCHEMBL9506599

CCCC[N]C(=O)NCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
PAOX Q6QHF9 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
RRM1 P23921 1/20 0.40
EPHX1 P07099 6/20 0.39
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CASP2 P42575 1/20 0.36
ACHE P22303 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
SCHEMBL9504535 0.95 SLC6A5 (0.49) SLC6A5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL55497 0.88 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7309113 0.85 EPHX1 (0.57) EPHX1CASP2
SCHEMBL8393792 0.85 EPHX1 (0.57) EPHX1CASP2
SCHEMBL8392175 0.85 EPHX1 (0.57) EPHX1CASP2
SCHEMBL4561173 0.82 EPHX1 (0.54) DPP7EPHX1CASP2
SCHEMBL7310215 0.81 EPHX1 (0.57) EPHX1CASP2
SCHEMBL8391466 0.81 EPHX1 (0.57) EPHX1CASP2
SCHEMBL8391878 0.81 EPHX1 (0.57) EPHX1CASP2
SCHEMBL8393481 0.81 EPHX1 (0.55) EPHX1CASP2ACHEMMP2

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
EP-0434354-B1 SEPARATION MATERIAL FOR BLOOD COAGULATION FACTOR, PREPARATION AND USE THEREOF KURITA WATER INDUSTRIES LTD. (JP) 1993-08-11 EP disclosed
EP-0434354-A1 Separation material for blood coagulation factor, preparation and use thereof KURITA WATER INDUSTRIES LTD. (JP) 1991-06-26 EP disclosed