SCHEMBL9329964

SCHEMBL9329964

CC(C)CCNCCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.50
HRH3 Q9Y5N1 1/20 0.45
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
KDM1A O60341 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.37
PAOX Q6QHF9 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
Hydrochloric Acid SCHEMBL9322363 0.98 SCN5A (0.49) SCN5AHRH3FPR3FPR2SMN1; SMN2
SCHEMBL8764645 0.95 HRH3 (0.48) SCN5AHRH3FPR3FPR2SMN1; SMN2
Hydrochloric Acid SCHEMBL8765083 0.93 HRH3 (0.47) SCN5AHRH3FPR3FPR2SMN1; SMN2
SCHEMBL13519642 0.86 CARM1 (0.50) SCN5AHRH3FPR3FPR2CARM1
SCHEMBL19728165 0.85 SCN5A (0.47) SCN5AHRH3FPR3FPR2CARM1
SCHEMBL5911217 0.84 HRH3 (0.62) SCN5AHRH3SMN1; SMN2CARM1PRMT6
SCHEMBL13661314 0.83 HRH3 (0.46) SCN5AHRH3SMN1; SMN2TP53CARM1
SCHEMBL22851694 0.82 PAOX (0.55) SMN1; SMN2KDM1ALMNAPAOX
SCHEMBL4381194 0.82 HRH3 (0.59) SCN5AHRH3SMN1; SMN2CARM1PRMT6
SCHEMBL31617034 0.82 SCN5A (0.42) SCN5AHRH3FPR3FPR2SMN1; SMN2

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-0235942-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1994-03-23 EP claimed