SCHEMBL7201730

SCHEMBL7201730

CN1CC=C(c2c[nH]c3ccc(CC(=O)c4cccc(I)c4I)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.54
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51

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
SCHEMBL7208611 0.86 SLC6A4 (0.59) SLC6A4
SCHEMBL7207614 0.86 SLC6A4 (0.59) SLC6A4
SCHEMBL7201252 0.85 SLC6A4 (0.55) SLC6A4NOS3NOS1NOS2
SCHEMBL7204002 0.85 SLC6A4 (0.53) SLC6A4NOS3NOS1
SCHEMBL7200295 0.85 SLC6A4 (0.59) SLC6A4
Oxalic Acid SCHEMBL7208537 0.84 SLC6A4 (0.54) SLC6A4NOS3NOS1NOS2
SCHEMBL7205038 0.83 SLC6A4 (0.65) SLC6A4
SCHEMBL7204456 0.83 SLC6A4 (0.60) SLC6A4
SCHEMBL7206081 0.83 SLC6A4 (0.52) SLC6A4NOS3NOS1NOS2
SCHEMBL7207543 0.82 NOS3 (0.56) SLC6A4NOS3NOS1

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
US-6608079-B1 Activating serotonin-1F receptors, inhibiting neuronal protein extravasation, treating migraine ELI LILLY AND COMPANY 2003-08-19 US disclosed