SCHEMBL9323726

SCHEMBL9323726

CC(C)CCC(CCc1ccccc1)NCCCCCCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.56
HRH3 Q9Y5N1 2/20 0.45
LTA4H P09960 1/20 0.45
SLC6A3 Q01959 1/20 0.44
CYP2D6 P10635 1/20 0.42
SMAD3 P84022 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
HRH1 P35367 3/20 0.42

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
SCHEMBL9321345 0.95 SIGMAR1 (0.51) SIGMAR1HRH3LTA4HSLC6A3CYP2D6
SCHEMBL9323771 0.94 SIGMAR1 (0.58) SIGMAR1HRH3LTA4HSLC6A3HRH1
SCHEMBL9323634 0.89 SIGMAR1 (0.53) SIGMAR1HRH3LTA4HSLC6A3CYP2D6
SCHEMBL9322390 0.85 HRH3 (0.48) SIGMAR1HRH3FPR3FPR2HRH1
SCHEMBL9321347 0.85 HRH3 (0.48) SIGMAR1HRH3FPR3FPR2HRH1
SCHEMBL9322361 0.85 HRH3 (0.48) SIGMAR1HRH3FPR3FPR2HRH1
SCHEMBL9322455 0.85 HRH3 (0.48) SIGMAR1HRH3FPR3FPR2HRH1
SCHEMBL9322203 0.85 HRH3 (0.48) SIGMAR1HRH3FPR3FPR2HRH1
SCHEMBL9322427 0.85 HRH3 (0.48) SIGMAR1HRH3FPR3FPR2HRH1
SCHEMBL9322340 0.85 HRH3 (0.48) SIGMAR1HRH3FPR3FPR2HRH1

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 2 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
US-5070196-A GLUTAMATE BLOCKERS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-03 US disclosed