SCHEMBL6337333

SCHEMBL6337333

CCC1C=C(c2cc(F)cc3ccoc23)CCN1OC(=O)/C=C/C(=O)ON1CCC(c2cc(F)cc3ccoc23)=CC1CC

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.34

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
SCHEMBL6335014 0.87 GYS1 (0.35) GYS1
SCHEMBL6339527 0.75 GYS1 (0.32) GYS1
SCHEMBL6334740 0.72 GYS1 (0.34) GYS1
Fumaric Acid SCHEMBL6337336 0.71 CDK9 (0.33) GYS1
Fumaric Acid SCHEMBL6337332 0.71 CDK9 (0.33) GYS1
SCHEMBL6334848 0.69 GYS1 (0.34) GYS1
SCHEMBL6332465 0.67 FASN (0.33) GYS1
SCHEMBL6335246 0.67 GYS1 (0.32) GYS1
Fumaric Acid SCHEMBL6335012 0.67 CCNT1 (0.36) GYS1
Fumaric Acid SCHEMBL6335016 0.67 CCNT1 (0.36) GYS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed