SCHEMBL4604443

SCHEMBL4604443

C#CCOc1ccc(C(=O)NC2CCC(C)CC2)c(C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
TAS1R2 Q8TE23 2/20 0.50
CNR1 P21554 11/20 0.47
CNR2 P34972 11/20 0.47
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL4603150 0.83 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2
SCHEMBL4604358 0.83 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2CNR1CNR2
SCHEMBL4603116 0.81 ALDH1A1 (0.42) TAS1R3TAS1R1TAS1R2CNR1CNR2
SCHEMBL4603554 0.79 ALDH1A1 (0.46) TAS1R3TAS1R1TAS1R2CNR1CNR2
SCHEMBL4602808 0.79 HPGD (0.44) CNR1CNR2RAB9A
SCHEMBL4605222 0.79 HPGD (0.41) CNR1CNR2RAB9A
SCHEMBL4242863 0.78 CYP2B6 (0.49) TAS1R3TAS1R1TAS1R2CNR2NPC1
SCHEMBL4604638 0.78 ALDH1A1 (0.46) CNR1CNR2RAB9A
SCHEMBL4603858 0.77 CNR1 (0.42) TAS1R3TAS1R1TAS1R2CNR1CNR2
SCHEMBL4602882 0.77 CNR1 (0.44) TAS1R3TAS1R1TAS1R2CNR1CNR2

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