SCHEMBL7325401

SCHEMBL7325401

NCCCNCCCCNCCCNC(=O)Cc1ccc(O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.64
GRIA3 P42263 2/20 0.64
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
GRIA2 P42262 1/20 0.48
GRIA4 P48058 1/20 0.48
CHRNA1 P02708 2/20 0.48
CHRNG P07510 2/20 0.48
CHRNB1 P11230 2/20 0.48
CHRND Q07001 2/20 0.48

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 SCHEMBL9785786 0.92 GRIA1 (0.57) GRIA1GRIA3CA12CA1CA2
SCHEMBL9785902 0.85 GRIA1 (0.60) GRIA1GRIA3CA12CA1CA2
SCHEMBL7321088 0.84 CA12 (0.70) GRIA1GRIA3CA12CA1CA2
Acetic Acid SCHEMBL9785792 0.81 GRIA1 (0.56) GRIA1GRIA3CHRNA1CHRNGCHRNB1
SCHEMBL29998508 0.81 GRIA1 (0.98) GRIA1GRIA3GRIA2GRIA4CHRNA1
SCHEMBL398742 0.81 CHRNA1 (0.64) GRIA1CA12CA1CA2CA3
Joro Spider Toxin 3 SCHEMBL13151444 0.80 GRIA1 (1.00) GRIA1GRIA3GRIA2GRIA4
Joro Spider Toxin 3 SCHEMBL28731031 0.80 GRIA1 (1.00) GRIA1GRIA3GRIA2GRIA4
SCHEMBL29561626 0.80 GRIA1 (1.00) GRIA1GRIA3GRIA2GRIA4
Joro Spider Toxin 3 SCHEMBL29412442 0.80 GRIA1 (1.00) GRIA1GRIA3GRIA2GRIA4

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 4 patents. 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
US-5218000-A Nervous system disorders, antiischemic agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-06-08 US disclosed
EP-0361687-A1 Therapeutic polyamine-amides BTG INTERNATIONAL LIMITED (GB) 1990-04-04 EP disclosed
WO-1990002114-A1 THERAPEUTIC POLYAMINE-AMIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-08 WO disclosed