SCHEMBL9322707

SCHEMBL9322707

CC(C)CCC(CCC(C)C)NCCCN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.37
SCN5A Q14524 1/20 0.36
MAPT P10636 1/20 0.36
MBTD1 Q05BQ5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA2D1 P54289 1/20 0.34
MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL9321403 0.98 HRH3 (0.42) FPR3FPR2SMN1; SMN2TP53CARM1
SCHEMBL9321377 0.98 HRH3 (0.42) FPR3FPR2SMN1; SMN2TP53CARM1
SCHEMBL9322327 0.98 HRH3 (0.42) FPR3FPR2SMN1; SMN2TP53CARM1
SCHEMBL9322157 0.93 HRH3 (0.45) FPR3FPR2SMN1; SMN2TP53CARM1
SCHEMBL9324718 0.93 HRH3 (0.45) FPR3FPR2SMN1; SMN2TP53CARM1
SCHEMBL9322427 0.92 HRH3 (0.48) FPR3FPR2SMN1; SMN2TP53CARM1
SCHEMBL9322361 0.92 HRH3 (0.48) FPR3FPR2SMN1; SMN2TP53CARM1
SCHEMBL9322390 0.92 HRH3 (0.48) FPR3FPR2SMN1; SMN2TP53CARM1
SCHEMBL9322203 0.92 HRH3 (0.48) FPR3FPR2SMN1; SMN2TP53CARM1
SCHEMBL9321347 0.92 HRH3 (0.48) FPR3FPR2SMN1; SMN2TP53CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235942-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1994-03-23 EP claimed
US-5310902-A Glutamate blockers NIPPON CHEMIPHAR CO., LTD. (JP) 1994-05-10 US disclosed
EP-0235942-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1994-03-23 EP disclosed
US-5070196-A GLUTAMATE BLOCKERS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-03 US disclosed