SCHEMBL9820948

SCHEMBL9820948

[CH]1CCCCN1CCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.55
LTA4H P09960 1/20 0.54
SLC6A3 Q01959 1/20 0.50
MAOA P21397 1/20 0.49
POLB P06746 1/20 0.47
GRIN2B Q13224 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL9442022 0.95 SIGMAR1 (0.60) SIGMAR1LTA4HSLC6A3GRIN2BHRH3
SCHEMBL4054826 0.89 SLC6A3 (0.58) SIGMAR1LTA4HSLC6A3MAOAHRH3
SCHEMBL688048 0.78 SIGMAR1 (0.48) SIGMAR1SLC6A3POLBHRH3
SCHEMBL5302082 0.76 LTA4H (0.86) SIGMAR1LTA4HSLC6A3POLBGRIN2B
SCHEMBL83687 0.74 SIGMAR1 (0.86) SIGMAR1LTA4HSLC6A3POLBGRIN2B
SCHEMBL20382580 0.73 LTA4H (0.86) SIGMAR1LTA4HSLC6A3POLBGRIN2B
Ammonia Solution, Strong SCHEMBL28704893 0.73 SIGMAR1 (0.83) SIGMAR1LTA4HSLC6A3POLBGRIN2B
Hydrochloric Acid SCHEMBL7239522 0.73 LTA4H (0.80) SIGMAR1LTA4HSLC6A3POLBGRIN2B
Hydrochloric Acid SCHEMBL8037018 0.73 SIGMAR1 (0.83) SIGMAR1LTA4HSLC6A3POLBGRIN2B
SCHEMBL1514871 0.72 SIGMAR1 (0.50) SIGMAR1SLC6A3POLBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed