SCHEMBL9866577

SCHEMBL9866577

c1ccc(CCNCCCN2CCCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.79
SCN5A Q14524 2/20 0.62
SLC6A3 Q01959 1/20 0.61
LTA4H P09960 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
DPP7 Q9UHL4 1/20 0.57
GRIN2B Q13224 1/20 0.51
KDM1A O60341 1/20 0.51

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
SCHEMBL25810029 0.94 SIGMAR1 (0.71) SIGMAR1SCN5ASLC6A3LTA4HHRH3
SCHEMBL16511543 0.92 SCN5A (0.72) SIGMAR1SCN5ALTA4HHRH3
SCHEMBL16511226 0.90 SCN5A (0.69) SIGMAR1SCN5ASLC6A3LTA4HHRH3
SCHEMBL5708589 0.89 SIGMAR1 (0.73) SIGMAR1LTA4H
Hydrochloric Acid SCHEMBL5756391 0.89 SIGMAR1 (0.93) SIGMAR1SLC6A3LTA4HHRH3DPP7
SCHEMBL9019137 0.88 SIGMAR1 (1.00) SIGMAR1SLC6A3LTA4HDPP7
SCHEMBL13661556 0.87 SIGMAR1 (0.79) SIGMAR1SCN5ASLC6A3LTA4HHRH3
Hydrochloric Acid SCHEMBL10606789 0.84 DPP7 (0.76) SIGMAR1SCN5ASLC6A3LTA4HHRH3
SCHEMBL4236303 0.83 SCN5A (0.58) SIGMAR1SCN5ALTA4HHRH3
SCHEMBL83687 0.83 SIGMAR1 (0.86) SIGMAR1SLC6A3LTA4HHRH3GRIN2B

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