SCHEMBL9322755

SCHEMBL9322755

CCCCCCC(CCCCC)CCNCCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.44
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.38
LTA4H P09960 1/20 0.37
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37
ALDH1A1 P00352 2/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
BCHE P06276 3/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL9322478 1.00 SCN5A (0.44) SCN5AHRH3KDM4EUSP2LTA4H
SCHEMBL21348177 0.85 HRH3 (0.52) SCN5AHRH3KDM4ELTA4HGNAI3
SCHEMBL718213 0.85 GNAI3 (0.44) USP2GNAI3GNAO1GNAI1
SCHEMBL717870 0.85 GNAI3 (0.44) USP2GNAI3GNAO1GNAI1
SCHEMBL3229098 0.84 HRH3 (0.48) HRH3KDM4ELTA4HGNAI3GNAO1
SCHEMBL21348139 0.84 ALDH1A1 (0.52) SCN5AHRH3KDM4ELTA4HGNAI3
SCHEMBL22857557 0.82 HRH3 (0.46) HRH3KDM4ELTA4HGNAI3GNAO1
SCHEMBL9322472 0.82 SCN5A (0.40) SCN5AHRH3KDM4EUSP2LTA4H
SCHEMBL22857504 0.80 HRH3 (0.45) HRH3KDM4ELTA4HGNAI3GNAO1
SCHEMBL9322740 0.80 SCN5A (0.40) SCN5AHRH3KDM4EUSP2LTA4H

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
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