SCHEMBL4418311

SCHEMBL4418311

CC(Cc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1)S(N)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.59
NOS3 P29474 2/20 0.55
NOS1 P29475 2/20 0.55
NOS2 P35228 2/20 0.55

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
SCHEMBL7817199 0.84 SLC6A4 (0.61) SLC6A4NOS3NOS1NOS2
SCHEMBL4541937 0.84 SLC6A4 (0.61) SLC6A4
SCHEMBL3379399 0.82 SLC6A4 (0.71) SLC6A4
SCHEMBL4418308 0.82 SLC6A4 (0.61) SLC6A4
SCHEMBL9764544 0.80 SLC6A4 (0.68) SLC6A4
Hydrochloric Acid SCHEMBL9764443 0.80 SLC6A4 (0.61) SLC6A4
SCHEMBL1275552 0.78 SLC6A4 (0.59) SLC6A4
SCHEMBL9772971 0.78 SLC6A4 (0.59) SLC6A4
Hydrochloric Acid SCHEMBL9772910 0.78 SLC6A4 (0.59) SLC6A4
SCHEMBL8414917 0.77 SLC6A4 (0.64) 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
WO-2009016466-A2 A PROCESS FOR THE PREPARATION OF NARATRIPTAN HYDROCHLORIDE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2009-02-05 WO disclosed