SCHEMBL7201702

SCHEMBL7201702

CC(C)c1cccc(C(=O)Cc2ccc3[nH]cc(C4=CCN(C)CC4)c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.53
NOS3 P29474 2/20 0.51
NOS1 P29475 2/20 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
SCHEMBL7207543 0.88 NOS3 (0.56) SLC6A4NOS3NOS1
SCHEMBL7199538 0.88 SLC6A4 (0.54) SLC6A4NOS3NOS1
SCHEMBL7199515 0.88 SLC6A4 (0.63) SLC6A4NOS3NOS1
SCHEMBL7202266 0.88 SLC6A4 (0.63) SLC6A4NOS3NOS1
SCHEMBL7199548 0.88 SLC6A4 (0.63) SLC6A4NOS3NOS1
SCHEMBL7206421 0.86 SLC6A4 (0.64) SLC6A4
SCHEMBL7200761 0.84 SLC6A4 (0.67) SLC6A4NOS3NOS1
SCHEMBL7202490 0.83 SLC6A4 (0.51) SLC6A4NOS3NOS1
SCHEMBL7209936 0.83 SLC6A4 (0.67) SLC6A4
SCHEMBL7204456 0.82 SLC6A4 (0.60) SLC6A4

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