SCHEMBL6980555

SCHEMBL6980555

[N]C1CCCCC(CCCOCc2ccccc2)N1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6975226 0.82 SLC18A3 (0.43) POLB
SCHEMBL8806149 0.81 POLB (0.58) POLB
SCHEMBL6978104 0.81 SLC18A3 (0.42) POLB
SCHEMBL6976167 0.79
SCHEMBL6981221 0.79 POLB (0.45) POLB
SCHEMBL6971983 0.77 CTSD (0.40) HRH4HRH3
SCHEMBL6980494 0.77 LTA4H (0.38) TSHRHRH4HRH3POLB
SCHEMBL6976719 0.77 POLB (0.59) POLB
SCHEMBL4068078 0.75 SIGMAR1 (0.53) TSHRHRH3
SCHEMBL6609328 0.74 POLB (0.59) POLB

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
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed