SCHEMBL9514360

SCHEMBL9514360

NCCCNCCCCNCCCNC(=O)C(O)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 11/20 0.55
CHRNB2 P17787 3/20 0.54
CHRNB4 P30926 3/20 0.54
CHRNA3 P32297 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNA1 P02708 2/20 0.54
CHRNG P07510 2/20 0.54
CHRNB1 P11230 2/20 0.54
CHRND Q07001 2/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRM1 Q13255 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL9785790 0.92 CHRNA1 (0.52) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6387020 0.78 NAAA (0.76) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL6388581 0.78 NAAA (0.76) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL4881390 0.78 NAAA (0.76) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL7326932 0.77 GRIN1 (0.60) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2614261 0.75 GRIN1 (0.58) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12085636 0.74 CNR1 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL398742 0.74 CHRNA1 (0.64) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9772212 0.73 CA12 (0.52) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10888477 0.73 CA12 (0.52) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4

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-0361687-B1 Therapeutic polyamine-amides BRITISH TECH GROUP (GB) 1993-10-27 EP disclosed