SCHEMBL7323616

SCHEMBL7323616

NCCCNCCCCNCCCNC(=O)Cc1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 6/20 0.67
CHRNG P07510 6/20 0.67
CHRNB1 P11230 6/20 0.67
CHRND Q07001 6/20 0.67
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
GRIA1 P42261 3/20 0.54
GRIN1 Q05586 5/20 0.53
GRIN2A Q12879 5/20 0.53
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47

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
SCHEMBL9447580 0.87 CHRNA1 (0.59) CHRNA1CHRNGCHRNB1CHRNDCA12
SCHEMBL9785767 0.86 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL9447495 0.86 CHRNA1 (0.54) CHRNA1CHRNGCHRNB1CHRNDCA12
SCHEMBL398742 0.83 CHRNA1 (0.64) CHRNA1CHRNGCHRNB1CHRNDCA12
SCHEMBL9447534 0.83 TRPV1 (0.65) CHRNA1CHRNGCHRNB1CHRNDCA12
SCHEMBL9447601 0.81 TRPV1 (0.52) CHRNA1CHRNGCHRNB1CHRNDCA12
SCHEMBL10949914 0.80 TRPV1 (0.68) CHRNA1CHRNGCHRNB1CHRNDCA1
SCHEMBL15243443 0.80 TRPV1 (0.68) CHRNA1CHRNGCHRNB1CHRNDCA1
SCHEMBL7325401 0.79 GRIA1 (0.64) CHRNA1CHRNGCHRNB1CHRNDCA12
SCHEMBL9447586 0.78 GRIN1 (0.62) CHRNA1CHRNGCHRNB1CHRNDCA12

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 6 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
EP-0360437-A1 Biocidal polylamine-amides BTG INTERNATIONAL LIMITED (GB) 1990-03-28 EP disclosed
WO-1990001875-A1 BIOCIDAL POLYAMINE-AMIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-08 WO disclosed
WO-1990002114-A1 THERAPEUTIC POLYAMINE-AMIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-08 WO disclosed