SCHEMBL9322137

SCHEMBL9322137

CC(C)CCC(Cc1ccccc1)NCCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP7 Q9UHL4 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CYP2D6 P10635 1/20 0.42
SMAD3 P84022 1/20 0.42
LTA4H P09960 1/20 0.42
HRH1 P35367 2/20 0.41

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
SCHEMBL9322205 1.00 SIGMAR1 (0.47) SIGMAR1MEN1KMT2ADPP7HRH3
SCHEMBL9321415 0.99 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ADPP7HRH3
SCHEMBL9323630 0.92 DPP7 (0.48) SIGMAR1MEN1KMT2ADPP7
SCHEMBL9322164 0.91 DPP7 (0.49) SIGMAR1MEN1KMT2ADPP7
SCHEMBL9321345 0.89 SIGMAR1 (0.51) SIGMAR1HRH3CYP2D6SMAD3LTA4H
SCHEMBL9323634 0.88 SIGMAR1 (0.53) SIGMAR1HRH3CYP2D6SMAD3LTA4H
SCHEMBL9323726 0.84 SIGMAR1 (0.56) SIGMAR1HRH3CYP2D6SMAD3LTA4H
SCHEMBL9323771 0.83 SIGMAR1 (0.58) SIGMAR1HRH3LTA4HHRH1
SCHEMBL9321403 0.82 HRH3 (0.42) SIGMAR1HRH3
SCHEMBL9322327 0.82 HRH3 (0.42) SIGMAR1HRH3

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 5 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
EP-0235942-A1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1987-09-09 EP disclosed