SCHEMBL10587377

SCHEMBL10587377

CN1CCN(CC[CH]N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
ALOX15 P16050 1/20 0.38
PAOX Q6QHF9 1/20 0.36
LMNA P02545 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MC4R P32245 1/20 0.34
DRD3 P35462 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CA2 P00918 1/20 0.32
NCF1 P14598 1/20 0.32
CHKA P35790 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4151199 0.79
SCHEMBL28717804 0.77 SIGMAR1 (0.47) SIGMAR1ALOX15PAOXLMNAMC4R
SCHEMBL675301 0.77 HRH3 (0.48) SIGMAR1ALOX15LMNAHRH3PRMT6
SCHEMBL2561862 0.75 SIGMAR1 (0.46) SIGMAR1PAOXLMNAMC4RDRD3
SCHEMBL40839 0.74 PAOX (0.46) SIGMAR1ALOX15PAOXLMNAMC4R
SCHEMBL6143515 0.74 PAOX (0.46) SIGMAR1ALOX15PAOXLMNAMC4R
SCHEMBL21594786 0.72 PAOX (0.44) SIGMAR1ALOX15PAOXLMNAMC4R
SCHEMBL19295667 0.71 SIGMAR1 (0.43) SIGMAR1PAOXLMNAMC4RCSNK2A2
SCHEMBL7530875 0.70 ALOX15 (0.77) SIGMAR1ALOX15PAOXLMNAMC4R
SCHEMBL10685407 0.70 ALOX15 (0.77) SIGMAR1ALOX15PAOXLMNAMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322876-A2 Chelating compounds and their use NIHON MEDI-PHYSICS CO., LTD. (JP) 1989-07-05 EP disclosed