SCHEMBL4603743

SCHEMBL4603743

C#CCOc1c(F)cc(C(=O)NC2CCCCC2C)c(C)c1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 19/20 0.46
TAS1R1 Q7RTX1 19/20 0.46
TAS1R2 Q8TE23 18/20 0.46
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2289929 0.92 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL4247030 0.84 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2
SCHEMBL4246193 0.84 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2
SCHEMBL4246190 0.84 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2
SCHEMBL2295312 0.82 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL4242205 0.82 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2
SCHEMBL4247481 0.81 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2
SCHEMBL4603970 0.80 SCN9A (0.33)
SCHEMBL2285724 0.80 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL13013798 0.80 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1

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
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed