SCHEMBL7207543

SCHEMBL7207543

CN1CC=C(c2c[nH]c3ccc(CC(=O)c4cccc(-c5ccccc5)c4)cc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.56
NOS1 P29475 2/20 0.56
SLC6A4 P31645 2/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
HTR1A P08908 1/20 0.53
ALOX15 P16050 1/20 0.53
HTR6 P50406 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL7199515 0.89 SLC6A4 (0.63) NOS3NOS1SLC6A4
SCHEMBL7199538 0.89 SLC6A4 (0.54) NOS3NOS1SLC6A4
SCHEMBL7202266 0.89 SLC6A4 (0.63) NOS3NOS1SLC6A4
SCHEMBL7199548 0.89 SLC6A4 (0.63) NOS3NOS1SLC6A4
SCHEMBL7201702 0.88 SLC6A4 (0.53) NOS3NOS1SLC6A4
SCHEMBL7206421 0.88 SLC6A4 (0.64) SLC6A4HTR1A
SCHEMBL7200761 0.86 SLC6A4 (0.67) NOS3NOS1SLC6A4
SCHEMBL7202490 0.85 SLC6A4 (0.51) NOS3NOS1SLC6A4
SCHEMBL7209936 0.84 SLC6A4 (0.67) SLC6A4
SCHEMBL7204456 0.83 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