SCHEMBL7083787

SCHEMBL7083787

NCCCC[C@@H](N)C(=O)NCCCCNCCCN

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.71
GNAO1 P09471 1/20 0.71
GNAI1 P63096 1/20 0.71
DPP7 Q9UHL4 2/20 0.58
RRM1 P23921 1/20 0.57
MMP2 P08253 1/20 0.50
NOS1 P29475 1/20 0.50
TERT O14746 4/20 0.49
GSR P00390 1/20 0.48
CA12 O43570 2/20 0.48
F13A1 P00488 2/20 0.48
CA2 P00918 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
THPO P40225 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 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
SCHEMBL5965247 1.00 GNAI3 (0.71) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL24179776 0.98 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL10033848 0.98 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12085475 0.98 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965329 0.97 GNAI3 (0.71) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965246 0.97 GNAI3 (0.71) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965169 0.95 GNAI3 (0.64) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5497912 0.95 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965168 0.93 GNAI3 (0.67) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965319 0.93 GNAI3 (0.67) GNAI3GNAO1GNAI1DPP7RRM1

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
EP-1040096-B1 NEUROPROTECTIVE AGENTS UNIV SOUTHAMPTON (GB) 2003-07-09 EP disclosed
EP-1040096-A1 NEUROPROTECTIVE AGENTS THE UNIVERSITY OF SOUTHAMPTON (GB) 2000-10-04 EP disclosed
WO-1999031049-A1 NEUROPROTECTIVE AGENTS UNIVERSITY OF SOUTHAMPTON (GB) 1999-06-24 WO disclosed